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1.
Abstract The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)2]·C2H5OH (1 · C2H5OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes
in monoclinic space group P21/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?3. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent
spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer
transition (LCCT) with π → π* property.
Index Abstract
A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized
by X-ray crystallography and fluorescent studies.
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2.
Audra F. Gushwa Yamina Belabassi Jean-Luc Montchamp Anne F. Richards 《Journal of chemical crystallography》2009,39(5):337-347
Abstract The syntheses and X-ray analyses of triphenylmethyl (trityl=Tr) phosphorus compounds are reported and the structural similarities,
differences and 31P chemical shifts compared. A series of seven trityl-substituted phosphorus-containing compounds have been characterized by
single crystal X-ray diffraction. Ph3CPPh2, 1, a bulky P(III) compound crystallizes in the triclinic space group , a = 7.5624(6) ?, b = 9.5470(8) ?, c = 16.9722(14) ?, α = 83.4720(10)°, β = 80.541(2)°, γ = 68.1580(10)°, the borane complex of 1, 2, Ph3CPPh2(BH3) crystallizes as monoclinic colorless crystals, P21/c, a = 10.0972(12) ?, b = 9.6955(12) ?, c = 25.197(3) ?, β = 90.258(2)°. The analogous methyl substituted, 3, Ph3CPMe2(BH3) is monoclinic, C2/c, a = 15.628(3) ?, b = 12.770(3) ?, c = 18.406(4) ?, β = 103.968(3)°. Compounds 4–7 are trityl substituted P(V) compounds: Ph3CP(Ph)(O)(OH), 4, crystallizes in the triclinic space group , a = 8.9847(18) ?, b = 9.7443(19) ?, c = 12.786(3) ?, α = 72.045(3)°, β = 72.031(3)°, γ = 78.769(3)°. Esterification of 4 affords TrCP(O)(Ph)OBn 5, space group, P21/c, a = 7.9196(5) ?, b = 31.701(2) ?, c = 19.8062(13) ?, β = 99.7750(10)°. A phosphonate diester was also characterized, Ph3CP(O)(OEt)2, 6, triclinic, , a = 7.9521(17) ?, b = 9.2205(19) ?, c = 14.471(3) ?, α = 85.906(4)°, β = 83.031(4)°, γ = 68.283(4)°. Treatment of the trityl H-phosphinic acid, Ph3CPO2H2, with elemental selenium yields yellow crystals of 7, [Ph3CP(O)(OH)Se]2, P21/c, a = 9.0603(4) ?, b = 22.3652(11) ?, c = 16.9134(7) ?, β = 107.035(2)°. In our efforts to isolate a nickel-phosphine complex, two Ni(II) complexes were crystallographically analyzed,
[Ni(OP(H)Ph2)6]2BF4
−
8 and 9. Complex 8 with an uncoordinated BF4
− ion crystallizes as yellow orthorhombic crystals, Pbca, a = 18.8247(12) ?, b = 18.5518(12) ?, c = 21.0976(14) ?, while crystals of 9 are trigonal, , a = b = 13.1545(12) ?, c = 68.461(9) ?.
Graphical Abstract The syntheses and X-ray analyses of triphenylmethyl (trityl=Tr) phosphorus compounds are reported and the structural similarities,
differences and 31P chemical shifts compared.
相似文献
3.
Shun-Liu Deng Sa Li Rong-Bin Huang Lan-Sun Zheng 《Journal of chemical crystallography》2008,38(9):679-683
Abstract The title compound was prepared from the reaction of perchloroacenaphthylene with an excess of sodium salt of 4-methyloxythiophenol
in toluene/ethanol (1:1) solvent and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes
in the Monoclinic space group P2(1) with the parameters: a = 10.351(1) ?, b = 20.453(3) ?, c = 12.1837(16) ?, β = 105.584(3)°, V = 2484.5(6) ?3, with Z = 2 formula units.
Graphical Abstract
The title compound 4,7-dichloro-1,2,3,5,6,8-hexakis-(4-methoxy-phenylsulfanyl)-acenaphthylene was synthesized from perchloroacenaphthylene C
12
Cl
8
with an excess of 4-methoxybenzene thiolate in toluene/ethanol (1:1)
. 相似文献
4.
Hossein Aghabozorg Mohammad Ghadermazi Fatemeh Zabihi Bahar Nakhjavan Janet Soleimannejad Elahe Sadr-khanlou Abolghasem Moghimi 《Journal of chemical crystallography》2008,38(9):645-654
Abstract Three new complexes of zinc(II) with three different proton transfer compounds, obtained from pyridine-2,6-dicarboxylic acid
(dipicolinic acid) and different Lewis bases, were synthesized and characterized using IR, 1H NMR and 13C NMR spectroscopy and single crystal X-ray diffraction. The chemical formulae and space groups of the complexes are (pipzH2)[Zn(pydc)2] · 4H2O, P21/n (1), (EDGnH2)[Zn(pydc)2] · 3H2O, P21/c (2) and (pdaH2)[Zn(pydc)2] · 4H2O,
(3) where pydc, pipz, EDGn and pda are standing for dipicolinic acid, piperazine, ethylenediguanidine and 1,3-propanediamine
respectively. Cell parameters of the complexes are a = 7.9493(4) ?, b = 13.4386(7) ?, c = 21.0557(11) ?, β = 90.415(5)° for 1; a = 9.785(3) ?, b = 25.671(4) ?, c = 9.3402(16) ?, β = 90.790(17)° for 2 and a = 8.411(5) ?, b = 11.650(7) ?, c = 12.793(8) ?, α = 115.534(9)°, β = 92.791(10)°, γ = 97.778(10)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In all three compounds a large
number of O–H⋯O, N–H⋯O and C–H⋯O hydrogen bonds are observed. These interactions as well as other noncovalent interactions
such as ion–pairing and π–π stacking play an important role in the formation and stabilization of supramolecular systems in
the crystal lattices.
Index Abstract The main purpose of this paper is to report and discuss about the synthesis, characterization, crystal structure and non-covalent
interactions of three supramolecular frameworks of six-coordinated Zn(II) complexes, obtained by the reaction of different
proton transfer compounds, i.e. (pipzH2)(pydc), (EDGnH2) (pydc) · 3H2O and (pdaH2)(pydc) · (pydcH2) · 2.5H2O with corresponding metallic salts.
相似文献
5.
Muhammad Rafique Sonia Zulfiqar Glenn P. A. Yap Syed Ismat Shah Muhammad Ilyas Sarwar 《Journal of chemical crystallography》2009,39(1):83-86
Abstract The title compound 1,3-bis(p-nitrophenoxy)propane was synthesized by nucleophilic substitution of p-nitrophenol and 1,3-dibromopropane. Single crystal X-ray diffraction analysis reveals that the molecule in the solid state
packs in the monoclinic P2/n space group with crystal cell parameters a = 17.465(5) ?, b = 4.8433(13) ?, c = 17.610(5) ?, β = 100.290(6)o, V = 1465.6(7) ?3, Dcalc = 1.442 g/cm−3. Two half-molecules are located in the asymmetric unit which are each completed by twofold symmetry making Z = 4, Z′ = 1.
Index Abstract The title compound 1, 3-bis (p-nitrophenoxy) propane was prepared from p-nitrophenol and 1, 3-dibromopropane, crystallized from an ethanolic solution, and the structure was obtained by single crystal
X-ray diffraction: monoclinic, P2/n, a = 17.465(5) ?, b = 4.8433(13) ?, c = 17.610(5) ?, β = 100.290(6)°, V = 1465.6(7) ?3.
相似文献
6.
Hong-Yun Jin Jing-Zhong Chen Xian-Wen Wang Shu-En Hou 《Journal of chemical crystallography》2009,39(3):182-185
Abstract A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu2(NO3)4(APTY)4 (1) (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one), has been successfully synthesized by solvothermal treatment of Cu(NO3)2 · 6H2O with APTY. Compound 1 crystallizes in the triclinic space group P-1 with cell parameters: a = 10.556(2) ?, b = 12.075(2) ?, c = 15.230(3) ?, α = 74.75(3), β = 81.50(3), γ = 70.60(3)°, V = 1762.7(6) ?3, R1 = 0.0493, wR2 = 0.1400, Z = 1, D
calc = 1.455 g/cm3, F(000) = 798, S = 1.009. In the compound molecules, each of the six-coordinated CuII atoms are bridged by APTY ligands into 18-membered macrocycle, and each the Cu2+ atoms exhibits a significantly distorted octahedral geometry. The crystal packing is stabilized by C–H···O hydrogen-bonding
interactions into a three-dimensional supramolecular framework.
Index Abstract A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu2(NO3)4(APTY)4 (1), has been successfully synthesized by solvothermal treatment (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one). The six-coordinated Cu2+ atom exhibit significantly distorted octahedral geometry. The crystal packing is stabilized by C–H···O hydrogen-bonding interactions
into a three-dimensional supramolecular framework. 相似文献
7.
Wesley H. Monillas Glenn P. A. Yap Klaus H. Theopold 《Journal of chemical crystallography》2009,39(7):535-538
Abstract Addition LiNHPh to a [(NacNac)Cr(μ-I)]2 [NacNac = 2,4 pentane-N-N′-bis(2,6-diisopropylphenyl) ketiminato] in THF yields a dimeric anilido complex, 1, that crystallizes in P21/n with unit cell parameters a = 13.390(2) ?, b = 26.298(5) ?, c = 21.326(4) ?, β = 93.905(4)°, V = 7492(2) ?3 and Z = 4. The same reaction in the presence of aniline yields a monomeric anilido complex, 2, with a coordinated aniline molecule. Complex 2 crystallizes in P2
1
/c with unit cell parameters a = 28.530(5) ?, b = 10.8116(18) ?, c = 26.492(5) ?, β = 115.685(3)°, V = 7364(2) ?3 and Z = 8. Addition of aniline to isolated 1 yields 2. Addition of LiNPh2 to [(NacNac)Cr(μ-I)]2 in THF yields a monomeric complex that crystallizes in P21/n with the unit cell parameters a = 11.152(6) ?, b = 23.820(12) ?, c = 17.915(9) ?, β = 106.223(9)°, V = 4569(4) ?3 and Z = 4. All complexes have been spectroscopically and structurally characterized.
Graphical Abstract Addition of LiNHPh or LiNPh2 to [(NacNac)Cr(μ-I)]2 yields a dimeric or a monomeric complex whereas addition of LiNHPh in the presence of aniline yields the monomeric anilido
complex.
相似文献
8.
Gerard A. van Albada Maarten G. van der Horst Ilpo Mutikainen Urho Turpeinen Jan Reedijk 《Journal of chemical crystallography》2008,38(7):519-523
Abstract Two isostructural mononuclear compounds with formula {[Cd(dipm)(H2O)(ClO4)](dipm)(ClO4)(H2O)} (1) {[Zn(dipm)(H2O)(BF4)](dipm)(BF4)(H2O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared
spectroscopy. The structure of compound 1 has been solved in the space group P21/n with a = 18.860(4), b = 8.579(2), c = 20.917(4) ?, β = 101.33(3)°, V = 3318.4(12) ?3, Z = 4 with final R = 0.0454. The structure of compound 2 has also been solved in the space group P21/n with a = 19.026(4), b = 8.389(1), c = 20.720(4) ?, β = 101.37(3)°, V = 3242.2(10) ?3, Z = 4 with final R = 0.0689. The geometry around the metal ions is octahedral, and is constituted by four nitrogen atoms from two dipm molecules,
an oxygen atom from a water molecule and a semi-coordinating anion atom ( for compound 1 and for compound 2). In the lattice are also present: a non-coordinating water molecule, an anion molecule and a dipm molecule. For compound
1, the Cd–N distances are between 2.296 and 2.328 ?. The distance is 2.310 ? and the is 2.477 ?. The Zn–N distances in compound 2 are between 2.121 and 2.164 ?. The distance is 2.147 ? and the distance is 2.373 ?. A hydrogen bond interaction of the Watson–Crick type is observed between the amine N atom of a dipm
ligand to a pyrimidyl N atom and a non-coordinating dipm ligand with N···N distances, which vary from 3.066(5) to 3.109(5) ?.
Furthermore medium to strong hydrogen bond interactions are present between oxygen atoms of the water molecules and the anions
of the compounds.
Index Abstract Two isostructural mononuclear compounds with formula {[Cd(dipm)(H2O)(ClO4)](dipm)(ClO4)(H2O)} (1) {[Zn(dipm)(H2O)(BF4)](dipm)(BF4)(H2O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared
spectroscopy.
.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
9.
S. Kannan S. Chantrapromma H. K. Fun S. Robinson Jebas 《Journal of chemical crystallography》2009,39(1):9-12
Abstract The crystal structures for two of the ligands C6H5CH2SOCH2CONHCH2C6H5 (1) and C6H5SOCH2CON(iC3H7)2 (2) have been determined by X-ray diffraction. These compounds crystallize in orthorhombic system with space groups and cell
parameters, Pca21(no. 29), a = 8.4600(5) ?, b = 5.3534(5) ?, c = 32.136(2) ?, V = 1455.42(15) ?3 and Pna21(no. 33) a = 17.5563(11) ?, b = 5.7902(4) ?, c = 14.2866(9) ?, V = 1452.30(16) ?3, respectively. These molecules are stabilized in solid state by various intra and intermolecular hydrogen bonding interactions
to give polymeric structures. The reported IR spectra of these compounds in solid state could be explained on the basis of
the observed intermolecular hydrogen bonding interactions.
Index Abstract The title compounds C6H5CH2SOCH2CONHCH2C6H5 (1) and C6H5SOCH2CON(iC3H7)2 (2) were prepared by the oxidation of corresponding sulfides with H2O2/SeO2 in methanol and their structures were determined. The structures show that the SO and CO groups are having “anti” configuration
in 1 and “syn” configuration in 2.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
10.
James E. Johnson Diana C. Canseco Debra D. Dolliver John A. Schetz Frank R. Fronczek 《Journal of chemical crystallography》2009,39(5):329-336
Abstract Three aplysinopsin analogs were synthesized by reacting 5-bromo-5-fluoro- and 6-bromoindole-3-carboxaldehyde with either creatinine
or 2-imino-1,3-dimethyl-imidazolidin-4-one or 2-imino-1-methyl-3-ethylimidazolidin-4-one Single crystal structures on 5-bromo-4′-de-N-methylaplysinopsin DMF solvate [from creatinine, space group P21/n, lattice parameters a = 13.117(3) ?, b = 8.6663(15) ?, c = 14.743(3) ?, β = 99.538(10)° at 173 K], 5-fluoroaplysinopsin DMF
solvate [from 2-imino-1,3-dimethyl-imidazolidin-4-one, space group P21/c, lattice parameters a = 11.114(3) ?, b = 19.118(2) ?, c = 8.503(2) ?, β = 112.290(7)°], and 6-bromoindole-3-carboxaldehyde
(space group P21/n, lattice parameters a = 7.657(2) ?, b = 7.933(2) ?, c = 13.521(3) ?, β = 99.046(13)°) have been determined. Characterizations
include spectrometric identifications employing IR, UV, HRMS, and 1H and 13C NMR. 5-Bromo-4′-de-N-methylaplysinopsin and 5-fluoroaplysinopsin exist in the E configuration.
Index Abstract Single crystal X-ray structural analyses were carried out on 5-bromo-4′-de-N-methylaplysinopsin, 5-fluoroaplysinopsin, and 6-bromoindole-3-carboxaldehyde.
相似文献
11.
Valerio Bertolasi Naomi Hunter Keith Vaughan 《Journal of chemical crystallography》2009,39(5):372-376
Abstract The crystal structures of 1,2-bis-{(2-aminobenzoyl-)amino}ethane(1), 1,4-bis-{(2-aminobenzoyl-)amino}butane(2) and 2,2-dimethyl-1,3-bis-{(2-aminobenzoyl-)amino}-propane(3) have been determined by single crystal X-ray diffraction analysis. 1 and 2 are centrosymmetric molecules which lie on crystallographic centers of symmetry and adopt extended conformations. On the
other hand, owing to the odd number of carbon atoms in the spacer unit, 3 does not show centrosymmetry, but crystallizes in a non-centrosymmetric space group and assumes a folded conformation. The
crystal structures of 1, 2 and 3 are compared with the known structures of anthranilamide (7) and the N-alkyl anthranilamide derivative 8. Crystal data: 1 C16H18N4O2, monoclinic, space group P21/a, a = 9.5262(8) ?, b = 5.4200(5) ?, c = 15.3821(14) ?, β = 105.980(5)° and V = 763.52(12) ?3, for Z = 2. 2 C18H22N4O2, monoclinic, space group C2/c, a = 32.0710(17) ?, b = 5.4732(4) ?, c = 9.7326(5) ?, β = 102.570(4)° and V = 1667.42(17) ?3, for Z = 4. 3 C19H24N4O2, orthorhombic, space group Pca21, a = 16.7676(4) ?, b = 10.1847(2) ?, c = 10.5338(5) ?, and V = 1798.89(7) ?3, for Z = 4.
Index Abstract The crystal structures of 1,2-bis-{(2-aminobenzoyl-)amino}ethane(1), 1,4-bis-{(2-aminobenzoyl-)amino}butane(2) and 2,2-dimethyl-1,3-bis-{(2-aminobenzoyl-)amino}-propane(3) have been determined by single crystal X-ray diffraction analysis. 1 and 2 are centrosymmetric molecules which lie on crystallographic centers of symmetry and adopt extended conformations, whereas
3 does not show centrosymmetry, but crystallizes in a non-centrosymmetric space group and assumes a folded conformation.
相似文献
12.
Robert T. Stibrany 《Journal of chemical crystallography》2009,39(10):719-722
Abstract Two structures containing pseudo-tetrahedral Cu(II)N2Cl2 coordination complexes are reported. The first molecular structure (A) of the compound, 1,1′bis(1-ethylbenzimidazol-2-yl)propane
copper(II) dichloride (triEtBBIM)Cu(II)Cl2, 1, is reported. The complex crystallized in the triclinic space group P-1 with a = 8.616(3) ?, b = 9.302(3) ?, c = 14.314(4) ?, α = 85.613(6)°, β = 85.170(6)°, γ = 66.117(6)° and V = 1044.1(5) ?3 with Z = 2. The second structure (B) contains 1 and (3,3′bis(1-ethylbenzimidazol-2-yl)pentane) copper(II) dichloride (tetEtBBIM)Cu(II)Cl2, 2, both of which, cocrystallize in an equal molar ratio with a nitromethane solvate molecule. The complex crystallized in the
monoclinic space group P21/c with a = 18.876(4) ?, b = 14.975(3) ?, c = 18.344(4) ?, β = 116.75(3)°, and V = 4630.3(16) ?3 with Z = 4. The cocrystallization of such discrete complexes has been coined a chemical Janus.
Graphical Abstract The title complexes contain pseudo-tetrahedral Cu(II)N2Cl2 coordination. One of the structures is the result of an unusual cocrystallization, in which two different discrete Cu(II)
molecules cocrystallize in an equimolar ratio with a nitromethane solvate molecule.
相似文献
13.
Ilia A. Guzei Howard E. Zimmerman Sergey Shorunov Lara C. Spencer 《Journal of chemical crystallography》2009,39(6):399-406
Abstract 2,3-Diphenyl-1-naphthol (1) undergoes two unexpected reactions under different conditions. Compound (1) was heated in DMSO-d6 and underwent a Pummerer type thermal reaction to give two isomeric products, 1-(methylthio)methoxy-2,3-diphenyl naphthol-d5 which crystallized in the space group with a = 7.1610(9) ?, b = 11.2795(15) ?, c = 12.8905(17) ?, α = 114.049(2)°, β = 96.589(2)°, and γ = 102.945(2)°, and 2-(methylthio)methyl-2,3-diphenyl 1(2H)-naphthalenone-d5 which crystallized in the space group with a = 8.5981(5) ?, b = 10.4374(6) ?, c = 11.1078(6) ?, α = 78.748(2)°, β = 67.709(2)°, and γ = 83.184(2)°. Photolysis (254 nm) of (1) resulted in 2,2′,3,3′-tetraphenyl-1,1′-bi-2-naphthol which crystallized in the space group P21/c with a = 26.3616(11) ?, b = 10.1707(4) ?, c = 23.3376(9) ?, and β = 99.034(2)°.
Graphical Abstract When 2,3-diphenyl-1-naphthol was heated in DMSO-d6 two unexpected isomers, 1-(methylthio)methoxy-2,3-diphenyl naphthol-d5 and the racemate 2-(methylthio)methyl-2,3-diphenyl 1(2H)-naphthalenone-d5 were produced. Photolysis in THF at 254 nm led to the unexpected product 2,2′,3,3′-tetraphenyl-1,1′-bi-2-naphthol. All structures
were elucidated by X-ray crystallography.
相似文献
14.
Gino Bentivoglio Alexander Schwärzler Klaus Wurst Volker Kahlenberg Gerhard Nauer Günther Bonn Herwig Schottenberger Gerhard Laus 《Journal of chemical crystallography》2009,39(9):662-668
Abstract The synthesis and crystal structures of 1,3-diamino-2-methylimidazolium bis(trifluoromethylsulfonyl)imide (1), 1,3-dihydroxy-2-methylimidazolium bis(trifluoromethylsulfonyl)imide (2) and 1-(2-(diethylammonio)ethyl)-3-methylimidazolium bis(bis(trifluoromethylsulfonyl)imide) (4) are reported. The salts 1, 2 and 4 have melting points below 100 °C, the intermediate 1-(2-(diethylamino)ethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
(3) is liquid at room temperature. Compound 1 is monoclinic, space group P21/n with a = 8.4979(4) ?, b = 12.2803(6) ?, c = 13.9400(7) ?, β = 93.086(4)°, and Z = 4. Compound 2 is monoclinic, space group P21/c with a = 7.6165(2) ?, b = 20.5323(8) ?, c = 9.7654(3) ?, β = 111.046(2)°, and Z = 4. Compound 4 is triclinic, space group with a = 8.5313(4) ?, b = 9.2157(4) ?, c = 20.5812(8) ?, α = 84.668(2)°, β = 83.738(2)°, γ = 63.096(2)°, and Z = 2. The ions in 1 build a network of N–H···O hydrogen bonds, in 2 they are linked to chains by O–H···N and bifurcated O–H···O hydrogen bonds, whereas in 4 they form pairs by N–H···O contacts. The triflimide anions adopt transoid conformations.
Index Abstract Short interionic contacts, conformational flexibility, and disorder phenomena were identified in the crystal structures of
three new, low-melting, protic imidazolium triflimides.
相似文献
15.
Xiucun Liu Xiaoling Guo Yunyin Niu Qingli Wang Qian Cui Hongwei Hou Xiaorui Lv Seikweng Ng 《Journal of chemical crystallography》2009,39(2):147-150
Abstract In this paper, solution reaction of cadmium iodide with organic multifunctional
ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene generated a 1D polymer [CdI2 (bbmb).
(DMF) (CH3CN)]n
1, and the crystal
structure has been determined (C27H28CdI2N6O),
Mr = 818.75, a = 14.929(1) ?, b = 17.381(2) ?,
c = 15.850(1) ?, β = 114.8190(10)°, space group
C2/c, Z = 4, and V = 3733.3(6) ?3. In 1 the tetrahedral coordination of
Cd(II) and the conformation of the bbmb ligand make it a wave-shaped structure.
Graphical Abstract Synthesis and structure of a CdI2 coordination polymer with 1,4-bis(benzimidazole-1-yl-methylene)benzene(bbmb) Xiucun Liu, Xiaoling Guo, Yunyin Niu, Qingli Wang, Qian Cui, Hongwei Hou, Xiaorui Lv, SeikWeng Ng Solution reaction of cadmium iodide with organic multifunctional ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene (bbmb) generated a 1D polymer [CdI2 (bbmb) (DMF)(CH3CN)]n, in which the tetrahedral coordination of Cd(II) and the conformation of bbmb ligand make it a wave-shaped structure.相似文献
16.
Irena Ćaleta Dominik Cinčić Grace Karminski-Zamola Branko Kaitner 《Journal of chemical crystallography》2008,38(10):775-780
Abstract Two novel benzothiazoles 2-chloro-N-(benzothiazol-2-yl)benzamide (1) and 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide (2) were obtained in multistep synthesis. They were characterised by means of IR, 1H- and 13C-NMR spectroscopy and also by single-crystal X-ray diffraction. The compound 1 crystallises with triclinic space group P
, a = 9.5923(8) ?, b = 9.8583(8) ?, c = 13.8962(10) ?, α = 89.162(6)°, β = 77.741(7)°, γ = 80.064(7)°, V = 1264.5(2) ?3, Z = 4 and compound 2 crystallises as methanol solvate with monoclinic space group P 21/n, a = 7.5093(9) ?, b = 13.0211(14) ?, c = 16.032(2) ?, β = 92.717(10)°, V = 1565.9(3) ?3, Z = 4. Both crystal structures consist of discrete dimers connected into a three-dimensional network by intermolecular C–H···O
and C–H···X (X = Cl or S) hydrogen bonds and by face-to-face π–π stacking interactions.
Index Abstract The synthesis and structure of two novel N-(benzothiazol-2-yl)benzamides. Irena Ćaleta, Dominik Cinčić, GraceKarminski-Zamola and Branko Kaitner. Hydrogen bonds and
π–π interactions in N-(benzothiazol-2-yl)benzamides N-(benzothiazol-2-yl)benzamides.
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17.
Abstract The title compound bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol 8 has been synthesized and established by H NMR, IR and MS spectra and X-ray diffraction crystallography. Compound 8, C23H29Cl2N3O, Mr = 424.31, crystallizes in the monoclinic space group P21/c with unit cell parameters a = 14.5402(6) ?, b = 12.5888(5) ?, c = 11.6510(5) ?, α = 90o, β = 100.183o(2), γ = 90o, V = 2099.05(15) ?3, Dx = 1.343 mg m−3 and Z = 4. The final R was 0.0514. The molecular conformation and packing is stabilized by interactions of intermolecular
O1–H1···N3′.
Index Abstract The structure of bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol by the reaction of compound
4 and Grignard regent is studied.
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18.
Abstract A novel aromatic polycarboxylate polymer, [Zn2(bipy)2(btec)(H2O)2]n (1), has been synthesized and structurally characterized by the single crystal X-ray diffraction. Compound 1 belongs to the triclinic crystal system, space group P-1; a = 7.7449(6) ?, b = 8.9286(8) ?, c = 10.7422(8) ?, α = 80.95(1)°, β = 70.21(1)°, γ = 78.14(1)°, V = 680.93(10) ?3, Z = 2. The coordination geometry of Zn(II) atom is distorted trigonal bipyramidal with two nitrogen atoms of one 2,2′-bipy
group, two oxygen atoms from two different btec ligands, and one water. The 16-membered rings are alternately arranged forming
an infinite 1-D double-chain structure. A 3-D network was constructed by interlayer C···H–O, O···H–O hydrogen bonds and π–π
stacking interactions. Compound 1 exhibits fluorescence at room temperature in the solid state.
Graphical Abstract A 1-D double-chain aromatic polycarboxylate polymer, [Zn2(bipy)2(btec)(H2O)2]n (1), has been synthesized and structurally characterized by the single crystal X-ray diffraction. A 3-D network was constructed
by intermolecular C···H–O, O···H–O hydrogen bonds and π–π stacking interactions. Compound 1 exhibits fluorescence at room temperature in the solid state.
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19.
Chomchai Suksai Chaveng Pakawatchai Thawatchai Tuntulani 《Journal of chemical crystallography》2009,39(5):348-352
Abstract The crystal structures of pyridine containing thiourea moieties as substituents, (1) and (2), have been determined. The ortho-substituted pyridine (1) crystallized in monoclinic space group P21/c with a = 16.091(3) ?, b = 11.368(2) ?, c = 7.4364(14) ?, β = 100.489(4)o, V = 1337.5(4) ?3, z = 4. In this structure an intramolecular N–H···N hydrogen bond forms a pseudo-seven-membered ring. The meta-substituted pyridine (2) crystallized in monoclinic space group P21/c with a = 14.5408(15) ?, b = 8.8508(9) ?, c = 10.7959(11) ?, β = 106.435(2)o, V = 1332.6(2) ?3, z = 4. Crystal packing revealed that compounds (1) and (2) can form dimeric structures via intermolecular H-bonding using N–H···S and N–H···N interactions, respectively.
Graphical Abstract Varying the substituent position on the pyridine ring using thiourea moieties gave unique molecular aggregations in solid
state structures.
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20.
Ivan Halasz Michaela Horvat Tomislav Biljan Ernest Meštrović 《Journal of chemical crystallography》2008,38(10):793-800
Abstract Adducts of cadmium(II) dibenzoylmethate, Cd(dbm)2X2 (X = DMSO, H2O) were synthesized and analyzed by thermogravimetric analysis (TGA), differential-scanning calorimetry (DSC), hot-stage microscopy
(HSM), single crystal X-ray diffraction, FTIR and Raman spectroscopy, and elemental analysis. Products obtained by thermal
decomposition of the two Cd(II) complexes in oxygen, were used for quantitative analysis of cadmium in the adduct molecules.
Single-crystal X-ray diffraction analysis of the DMSO adduct revealed that it has cis configuration. The DMSO adduct crystallizes in P21/a space group, a = 17.2494(6) ?, b = 8.3251(4) ?, c = 22.2746(9) ?, β = 93.836(3)°, V = 3191.53(7) ?3, Z = 4.
Graphical abstract
Structural, Spectroscopic and Thermal Characterisation of bis (dibenzoylmethanato)Cd(II) Adducts With Dimethylsulfoxide and
Water
Ivan Halasz, Michaela Horvat, Tomislav Biljan, Ernest Meštrović
Two adducts of bis(dibenzoylmethanato)Cd(II), Cd(dbm)2X2 (X = DMSO, H2O) have been synthesized and characterized.
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