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1.
Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its cobalt and nickel complexes are determined. The (2-oxo-2H-quinaxalin-1-yl)-acetic
acid (1) crystallizes in orthorhombic, Pbca, a = 12.8571(11) ?, b = 9.4267(8) ?, c = 15.0095(13) ?, the cobalt complex of (2-oxo-2H-quinaxalin-1-yl)-acetic acid (2) crystallizes as dihydrate in triclinic, P-1 space group with a = 4.81150(10) ?, b = 11.8631(2) ?, c = 12.4867(3) ?, α = 71.7800(10)°, β = 79.2490(10)°, γ = 84.9020(10)° whereas the nickel complex of (2-oxo-2H-quinaxalin-1-yl)-acetic
acid (3) crystallizes in monoclinic, P21/c space group with a = 14.9210(5) ?, b = 4.81730(10) ?, c = 15.7672(5) ?. and β = 99.823(2)°. The crystal structure of the ligand and the complexes are compared with structures of
(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid and its cobalt and nickel complexes.
Index Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its nickel and cobalt complexes are compared with (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic
acid and its corresponding complexes with nickel(II) and cobalt(II).
相似文献
2.
Christina Zalaru Mino R. Caira Mircea Iovu Elena Cristea 《Journal of chemical crystallography》2007,37(9):623-628
Abstract X-ray structures of three pharmacologically active lidocaine analogs, containing a common, substituted pyrazole moiety as
the basic residue and variously substituted phenyl rings as the hydrophobic residue, have been determined. This isomeric series
comprises 2-(3,5-dimethyl-pyrazol-1-yl)-2′-methylacetanilide (1), 2-(3,5-dimethyl-pyrazol-1-yl)-3′-methylacetanilide monohydrate (2), and 2-(3,5-dimethyl-pyrazol-1-yl)-4′-methylacetanilide (3). Crystal data are 1: space group P2
1
/c with a = 4.7617(2), b = 11.5638(4), c = 23.603(1) ?, β = 90.736(2)°, Z = 4; 2: P2
1
/c with a = 4.7260(1), b = 13.7001(4), c = 21.7006(6) ?, β = 93.425(1)°, Z = 4; 3: P2
1
/n with a = 6.4103(3), b = 24.584(1), c = 8.4449(4) ?, β = 100.273(3)°, Z = 4. In 1–3, the amide bond is trans-planar but the basic and hydrophobic residues adopt different orientations relative to this plane. Hydrogen bonding in 1 and 3 is based on C(4) linear arrays whereas in the monohydrate 2, the presence of water gives rise to R
4
4
(16) ring motifs. A summary of the local anesthetic and anti-arrhythmic properties of 1–3 is provided.
Graphical abstract
X-ray Structures of Pharmacologically Active 2-(3,5-Dimethyl-pyrazol-1-yl)-methylacetanilides
Christina Zalaru, Mino R. Caira, Mircea Iovu, and Elena Cristea
The title compounds are lidocaine analogs that display local anesthetic and anti-arrhythmic activities. X-ray analyses revealed
a range of solid-state conformations among these isomeric compounds as well as variation in hydrogen bonding schemes, namely
C(4) (R = o-, p-CH3) and R44(16) (R = m-CH3, monohydrate crystal).
1,1-Os3(CO)9(μ-CO)(phen) 相似文献
3.
Xian-Feng Huang Lei Shi Huan-Qiu Li Hai-Liang Zhu 《Journal of chemical crystallography》2007,37(11):739-742
Abstract The title compound, 3, 6-dihydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]- benzene-1,3-dicarbaldehyde was synthesized by Vilslmeier reaction from resveratrol
(trans-3,4′,5-trihydroxystilbene). Its structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic,
space group P21/n with crystallographic parameters: a = 7.2950(15) ?, b = 14.781(3) ?, c = 12.202(2) ?, β = 96.57(3)°, μ = 0.108 mm−1, V = 1307.1(5) ?, Z = 4, Dx = 1.445 g/cm3, F(000) = 592, T = 293(2) K, 2.17°≤ θ ≤ 26.00°. The X-ray results demonstrated that the Vilslmeier reaction of resveratrol with DMF, POCl3 and CH3CN yielded 4,6-dhydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-benzene-1,3-dicarbaldehyde.
Graphical Abstract In this article, a resveratrol derivative was prepared and structurally characterized by single crystal X-ray diffraction.
相似文献
4.
Abstract The crystal structure of title compound has been determined. The compound crystallizes in the triclinic system with space
group P-1, lattice parameters; a = 9.2938 (5) ?, b = 11.9992 (7) ?, c = 25.5918 (13) ?, α = 91.343 (2)°, β = 95.8360 (10)°,
γ = 101.005 (2)°, V = 2784.3 (3) ?3, Z = 4, X-Ray analysis reveals that the molecular backbone consists of tricyclic system with the central seven-membered ring
in twisted chair-like conformation.
Graphical abstract The crystal structure of 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzo[b][1,2,4]oxadiazolo[4,5-d][1,4]thiazepine
was first determined by single-crystal X-ray diffraction which reveals that the molecular backbone consists of a tricyclic
system with the central seven-membered ring in twisted chair-like conformation
. 相似文献
5.
Bidhan A. Shinkre Dwayaja H. Nadkarni Samuel B. OwensJr. Gary M. Gray Sadanandan E. Velu 《Journal of chemical crystallography》2008,38(3):205-209
Abstract Details of the synthesis of the E isomer of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile, and the X-ray crystal structures of both the E and Z isomers of this compound are presented. The E isomer crystallizes in the P21/c space group with cell parameters, a = 8.5659(17) ?, b = 16.399(3) ?, c = 11.224(2) ?, α = 90°, β = 95.27(3)°, γ = 90°and Z = 4. The Z isomer crystallizes in the Pca21 space group with cell parameters, a = 4.1223(8) ?, b = 19.113(4) ?, c = 19.453(4) ?, α = 90°, β = 90°, γ = 90° and Z = 4.
Index Abstract Synthesis of E isomer and X-ray crystal structure determination of both E and Z isomers of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile
are presented.
相似文献
6.
Poonam Kaushik Dejan-Krešimir Bučar Leonard R. MacGillivray 《Journal of chemical crystallography》2007,37(10):713-715
Abstract The crystal and molecular structure of trans-1,2-bis(2-benzothiazolyl)ethene is reported. Crystal data for 1: monoclinic, space group C 2/c, a = 24.926(3) ?, b = 4.843(1) ?, c = 11.164(1) ?, β = 105.274(5) °, V = 1300.0(3) ?3, and D
c
= 1.50 g/cm3 for Z = 4 and R = 0.028. The molecule crystallizes in the form of a colorless plate and forms one-dimensional slipped π-stacks.
Graphical Abstract The title compound crystallizes to form 1D slipped π-stacks in the solid state.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
7.
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
8.
Abstract 3-[(Naphthalen-2-yl) methyl]isocoumarin was synthesized by the reaction of homophthalic acid with 2-(naphthalen-2-yl)acetyl
chloride at elevated temperature and its crystal structure has been determined (C20H14O2), Mr = 286.31, a = 13.704(3), b = 7.356(4), c = 7.042(7) ?, β = 99.21(3)°, space group Pc, Z = 2, and V = 700.7(8) ?3. The isocoumarin and the naphthalene ring systems are individually planar and the dihedral angle between the mean planes
of these two ring systems is 70.05(8)°.
Graphical Abstract Synthesis and crystal structure of 3-[(Naphthalen-2-yl)methyl]isocoumarin
Aamer Saeed, Junmei Liang, Masood Parvez
The synthesis and crystal structure of a novel isocoumarin, 3-[(naphthalen-2-yl)methyl]isocoumarin has been presented.
相似文献
9.
Bala Chandra Chenna Bidhan A. Shinkre Shweta Patel Samuel B. OwensJr. Gary M. Gray Sadanandan E. Velu 《Journal of chemical crystallography》2008,38(3):189-194
Abstract Synthesis, separation and X-ray crystal structures of E and Z isomers of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylic acid are reported. Separation of E and Z isomers from a 1:1 mixture has been carried out by selective acidification of their sodium salts carefully controlling the
pH of the solution. The structures of E and Z isomers were confirmed by determining crystal structures of these isomers using single crystal X-ray diffraction. The E isomer crystallizes in the P21/c space group with a = 11.493(2) ?, b = 5.5456(11) ?, c = 24.900(5) ?, α = 90°, β = 92.36(3)°, γ = 90°, Z = 4. The Z isomer crystallizes in the P21/c space group with a = 10.192(2) ?, b = 12.893(3) ?, c = 13.948(3) ?, α = 90°, β = 92.18(3)°, γ = 90°, Z = 4. Details of the synthesis and structural characterization and X-ray crystal structure determination of the title compounds
are presented.
Index Abstract
Synthesis, Separation and Crystal Structures of
E
and
Z
Isomers of 3-(2,5-Dimethoxyphenyl)-2-(4-Methoxyphenyl)Acrylic Acid
Balachandra Chenna, Bidhan A. Shinkre, Shweta Patel, Samuel B. Owens Jr., Gary M. Gray, Sadanandan E. Velu*
Separation of E and Z isomers of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylic acid from a 1:1 mixture has been carried out by selective acidification
of their sodium salts and the structures of the individual isomers have been determined by X-ray single crystal diffraction.
相似文献
10.
Li Zhang Guan-Cheng Xu Lang Liu Guang-Fei Liu Dian-Zeng Jia 《Journal of chemical crystallography》2008,38(2):151-155
Abstract A new compound 1-phenyl-3-methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5 (PMPeP-SHZ) has been synthesized and
characterized by elemental analysis, IR spectrum, MS and single crystal X-ray diffraction. The compound crystallizes in a
monoclinic, space group P2(1)/c with cell parameters: a = 10.8275(19) ?, b = 24.689(4) ?, c = 9.7167(16) ? and β = 95.127(4)°, Z = 4, S = 1.097. In the crystal structure, the compound presents in the diketo form. The structure exhibits both intra- and intermolecular
hydrogen bonding and the molecules are interlinked through hydrogen bonds forming an infinite 2D network. The fluorescent
result shows blue emission at room temperature in solid state.
Graphical Abstract
Synthesis, Characterization and Crystal Structure of 1-Phenyl-3- methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5
Li Zhang, Guan-Cheng Xu, Lang Liu, Guang-Fei Liu, and Dian-Zeng Jia*
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
11.
Andrew J. Lyle Christopher Wood Thamarapu Srikrishnan 《Journal of chemical crystallography》2008,38(4):261-265
Abstract Crystals of Perphenazine (P), obtained from water/propanol, are triclinic, space group P1, with a = 8.149 (2), b = 11.879 (2), c = 12.093 (2) ?, α = 60.49(1), β = 89.54(2), γ = 89.98(2)°, V = 1018.9 ?3, Z = 2, D
obs = 1.32 g/cm3, D
calc = 1.317 g/cm3. The crystal structure was solved with CAD-4 data (4287 reflections, 2267 ≥ 3σ) using the SHELX-86 programs and refined to
a final R value of 0.059. There are two independent molecules in the asymmetric unit, each with slightly different conformations. The
dihedral angle between the planes of the butterfly tricyclic ring system is 142° and 138° in the two molecules respectively whereas it is 141° in the published monoclinic form of Perphenazine.
The C–S–C angle in the tricyclic groups are 97° and 100° and the C–S distances are 1.707 and 1.738 ?. The piperazine has the
chair conformation. An analysis of the conformation of the phenothiazine ring system in the different structures solved to date
shows a conformational variability in the dihedral angle between the tricyclic ring systems (134–155°).
Index Abstract Crystals of Perphenazine, obtained from water/propanol, are triclinic and their structure was determined using single crystal
diffractometric data. There are two independent molecules in the asymmetric unit, each with slightly different conformations.
An analysis of the conformation of the phenothiazine ring system in the different structures solved to date shows a conformational
variability in the dihedral angle between the tricyclic ring systems (134–155˚).
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
12.
Vanessa Renee Little Hilary Jenkins Keith Vaughan 《Journal of chemical crystallography》2008,38(6):447-452
Abstract The crystal structures of methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate (2a) and 1,4-di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine (3a) have been determined by single crystal X-ray diffraction analysis. The bis-triazene (3a) adopts an unusual pseudo-boat conformation in the piperazine ring, with a dihedral angle of 52.20(0.06)° between the two
planes defined within the piperazine ring. The crystal structures of 2a and 3a are compared with the structure of the triazene (4) and the closely related bis-triazene (5). The piperazine ring of 2a adopts a typical chair conformation, whereas the piperazine ring of 3a adopts an unusual boat conformation. Crystal data: 2a C13H18N4O2, monoclinic, space group P21
/n, a = 13.849(3) ?, b = 6.577(1) ?, c = 14.904(3) ?, α = 90°, β = 96.098(3)°, γ = 90° and V = 1,349.8(4) ?3, for Z = 4. 3a C16H16N8O4, triclinic, space group P-1, a = 7.6066(6) ?, b = 8.3741(7) ?, c = 14.507(1) ?, α = 78.673(1)°, β = 81.877(1)°, γ = 73.445(1)° and V = 865.0(1) ?3, for Z = 2.
Index abstract
The crystal structures of methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate (2a) and 1,4-di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine (3a) have been determined by single crystal X-ray diffraction analysis. 相似文献
13.
Hossein Aghabozorg Mohammad Ghadermazi Bahar Nakhjavan Faranak Manteghi 《Journal of chemical crystallography》2008,38(2):135-145
Abstract The three complexes (pnH2)[Co(pydc)2]·4H2O 1, (pnH2)[Cu(pydc)2]·4H2O 2, and (pnH2)[Cd(pydc)2]·3.5H2O 3 (pn: propane-1,3-diamine, pydc: pyridine-2,6-dicarboxylate) were prepared using a proton transfer compound (pnH2)(pydc)·(pydcH2)·2.5H2O, LH
2
and corresponding metallic salts. The characterization was carried out using elemental analysis, IR and NMR spectroscopy,
and single crystal X-ray diffraction. Complexes 1 and 2 crystallize in space group P
, but complex 3 crystallizes in space group P2/c. Cell parameters of the complexes are a = 8.449(1) ?, b = 11.668(1) ?, c = 12.801(1) ?, α = 115.748(2)°, β = 93.038(2)°, γ = 97.867(2)° for 1; a = 7.973(2) ?, b = 16.632(2) ?, c = 25.280(5) ?, α = 94.178(6)°, β = 95.186(6)°, γ = 91.603(5)° for 2 and a = 20.055(1) ?, b = 13.8161(9) ?, c = 8.2418(5) ?, β = 100.086(1)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In structures of 2 and 3, it can be seen that propane-1,3-diaminium fragments have different conformations. The complexes have ion-pairing interactions,
O–H···O, N–H···O and C–H···O hydrogen bonds, π–π stacking as well as van der Waals forces as the main factors in formation
of their supramolecular structures.
Index Abstract
Supramolecular Cobalt(II), Copper(II) and Cadmium(II) Complexes Obtained from a Proton Transfer Compound including Pyridine-2,6-dicarboxylate
and Propane-1,3-diaminium Ions; Synthesis, Characterization and Crystal Structure
Hossein Aghabozorg, Mohammad Ghadermazi,Bahar Nakhjavan, Faranak Manteghi
The synthesis, characterization, crystal structure and non-covalent interactions of three supramolecular complexes of Co(II),
Cu(II) and Cd(II) obtained by the reaction of a proton transfer compound i.e. (pnH2)(pydc)·(pydcH2)·2.5H2O with the corresponding metallic salts are reported.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
14.
K. Palani N. Sureshbabu P. C. Srinivasan M. Nethaji M. N. Ponnuswamy 《Journal of chemical crystallography》2006,36(6):349-355
The compounds 3-(1-Benzenesulfonyl-3-phenylsulfanyl-1H-indol-2-yl)-1-[4-methyl (I)/methoxy (II)phenyl)]-2-phenyl-propane-1-one crystallize in triclinic space group P
. The details are: compound I
a = 11.941(6) ?, b = 12.154(7) ?, c = 13.006(7) ?, α = 63.124(8)°, β = 84.464(9)°, γ = 64.810(8)°, V = 1519.7(14) ?3, Z = 2, D
cal = 1.284 Mg m−3, and R = 0.0382 (wR = 0.0978); compound II
a = 11.897(6) ?, b = 12.268(6) ?, c = 13.001(7) ?, α = 61.919(8)°, β = 83.480(8)°, γ = 64.676(7)°, V = 1504.0(14) ?3, Z = 2, D
cal = 1.333 Mg m−3, and R = 0.0422 (wR = 0.1049). The indole ring system in both the molecules I and II are not strictly planar and the dihedral angles formed by the pyrrole and benzo planes are 4.0(7)° and 3.5(8)°, respectively. The C–HO, C–Hπ and ππ types of interactions stabilize the molecules in the unit cell in addition to van der Waal's forces in I and II. 相似文献
15.
Abstract Two isoflavone derivatives, 5,6,7,4′-tetramethoxyisoflavone (I) and 6,4′-dimethoxy- 7-ethoxy-5-hydroxylisoflavone (II), have
been synthesized and their crystal structures were determined by 1H NMR and single crystal X-ray diffraction studies. I is triclinic, space group P-1 with a = 7.828(1) ?, b = 10.285(2) ?, c = 11.608(2) ?, α = 104.90(2)°, β = 110.546(9)°, γ = 99.54(1)° and Z = 2. II is orthorhombic, space group Pna2
1
with a = 7.0244(6) ?, b = 15.0104(15) ?, c = 15.7538(15) ?, and Z = 4. Molecules of I are linked into two-dimensional structure by a combination of C–H···O hydrogen bond and F-type aromatic–aromatic
interactions. II shows some discrepancies with I and the molecules are linked into columns by T-type aromatic-aromatic interaction.
Graphical Abstract
F-type or T-type Aromatic–Aromatic Interaction in Two Isoflavone Derivatives
Zun-Ting Zhang,* Xue-Ling Zhang
Molecules of 5,6,7,4′-tetramethoxyisoflavone are linked into two-dimensional structure by a combination of C–H···O hydrogen
bond and F-type aromatic–aromatic interactions; 6,4′-dimethoxy-7-ethoxy-5-hydroxylisoflavone shows some discrepancies with
5,6,7,4′-tetramethoxyisoflavone and the molecules are linked into columns by T-type aromatic–aromatic interaction.
相似文献
16.
Anthony E. Vaughn Charles L. Barnes Paul B. Duval 《Journal of chemical crystallography》2007,37(11):779-782
Abstract The title compound trans-UO2(N(SiMe3)2)2(THF)2 (1) was synthesized and characterized by X-ray crystallography. The complex crystallizes in the monoclinic space group C2/c
(#15) with lattice parameters a = 16.0771(5) ?, b = 13.1196(4) ?, c = 16.9391(6) ?, β = 116.853(1)°, V = 3187.61(18) ?3, Z = 4, D
calc = 1.532 g cm-3. The six-coordinate uranium(VI) center adopts an all-trans octahedral geometry consisting of mutually trans oxo groups, silylamido ligands, and neutral THF donors. Structural comparisons of this uranyl(VI) bis(amido) complex with
a related tris(amido) derivative within the series are made based on symmetry, charge, and coordination number.
Graphical Abstract The X-ray crystal structure of the title complex is reported, providing comparisons based on symmetry, charge, and coordination
number with a related uranyl(VI) amido derivative within this series.
相似文献
17.
M. Ramos Silva A. J. F. N. Sobral J. A. Silva A. C. Santos S. M. Melo A. Matos Beja 《Journal of chemical crystallography》2007,37(10):695-698
Abstract A new substituted pyrrole, a precursor of meso-free-porphyrins, has been synthesised and characterised by single-crystal X-ray
diffraction: monoclinic, P21/c with a = 14.607(9) ?, b = 5.136(2) ?, c = 25.832(17) ?, β = 108.14(5)°, Mr = 349.41, V = 1841.6(18) ?3, Z = 4. The molecules are assembled in centrosymmetric dimers via strong N–H...O hydrogen bonds. The dimers are gathered
into chains via C–H...π intermolecular interactions.
Graphical abstract The molecules in 4-benzyl-5-methoxymethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester are joined in dimmers by strong
hydrogen bonds. The dimmers are aggregated in chains running along the b axis through C-H...?€ intermoleculear interactions.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
18.
Ki-Young Choi 《Journal of chemical crystallography》2008,38(1):53-56
Abstract The tridentate Schiff base carboxylate-containing ligand 2-pyridylmethylamino-3-butyric acid (Hpaba) reacts with copper(II)
perchlorate to give the one-dimensional chain complex {[Cu(μ-paba)](ClO4)·H2O}
n
(1). The coordination geometry of each copper(II) ion is best described as a square-plane with two nitrogen atoms and one carboxylate
oxygen atom of the ligand, and one carboxylate oxygen atom belong to another ligand. It crystallizes in the monoclinic system
P21/c with a = 12.717(2), b = 7.9163(15), c = 14.981(2) ?, β = 111.14(1)°, V = 1406.8(4) ?3, Z = 4. Cyclic voltammogram of 1 undergoes the reversible one-electron oxidation to the Cu(III) and the reversible one-electron reduction to the Cu(I) state.
Graphical Abstract Crystal structure of 1 reveals a syn-anti carboxylate-bridged one dimensional chain complex in which the coordination environment around each copper(II) ion exhibits
a distorted square plane.
相似文献
19.
Krishnan Ravikumar Balasubramanian Sridhar Masna Mahesh Vaddu Venkata Narayana Reddy 《Journal of chemical crystallography》2008,38(1):33-38
Abstract Crystallization by slow evaporation of methanol solution of 5-(4-nitrophenyl)-3,4,4a5,6,10b-hexahydro-2H-pyrano[3,2-c] quinoline,
yields two polymorphs. Rectangle plate-like crystals have a triclinic (P
) structure, with one molecule in the asymmetric unit, a = 8.2299(5) ?, b = 9.7774(6) ?, c = 11.0047(7) ?, α = 65.718(1)°, β = 75.699(1)° and γ = 71.617(1)°, while, long needle-like crystals exhibit a monoclinic
(C2/c) crystal structure in which two independent molecules comprise the asymmetric unit, a = 32.285(3) ?, b = 9.4045(7) ?, c = 22.804(2) ? and β = 114.965(1)°. The crystal structures reveal the molecule in both the polymorphs as an endo-Imino-Diels-Alder
cycloadduct isomer. The stereochemistry of the pyran ring in both the polymorphs is exo to the quinoline ring formed in the
cycloaddition step. The molecules are linked by N–H···O hydrogen bonds into centrosymmetric dimers forming R2
2(18) rings in the triclinic form, while they are arranged to form a helical chain in the monoclinic form.
Index abstract Crystallization by slow evaporation of methanol solution of 5-(4-nitrophenyl)-3,4,4a5,6,10b-hexahydro-2H-pyrano[3,2-c] quinoline,
yields two polymorphs. The crystal structures reveal the molecule in both the polymorphs as an endo-Imino-Diels-Alder cycloadduct
isomer. The stereochemistry of the pyran ring in both the polymorphs is exo to the quinoline ring formed in the cycloaddition
step. The molecules are linked by N–H···O hydrogen bonds into centrosymmetric dimers forming R2
2(18) rings in the triclinic form, while they are arranged to form a helical chain in the monoclinic form.
In the present study, we have determined the crystal structures of two polymorphs of pyranoquinoline, I and II. 相似文献
20.
Jeffrey C. Duhacek Tasneem A. Siddiquee Dennis W. Bennett Dean C. Duncan 《Journal of chemical crystallography》2008,38(6):431-435
Abstract We report two new crystal and molecular structures of the following monomeric arylimido tungsten tetrachloride complexes,
[WCl4(NC6H4I-p)(CH3CN)] (1) and [WCl4(NC6H3-2,6-i-Pr
2)(CH3CN)] (2), containing weakly coordinating acetonitrile ligands. Complex 1 crystallizes in the triclinic space group P-1 with lattice parameters a = 6.292(1) ?, b = 8.251(1) ?, c = 15.126(2) ?, α = 78.42(1)°, β = 82.33(2)°, γ = 77.89(1)°, V = 748.7(3) ?3, Z = 2. Complex 2 crystallizes in the monoclinic space group P2
1
/c with lattice parameters a = 9.629(1) ?, b = 16.790(2) ?, c = 24.155(2) ?, β = 95.42(1)°, V = 3888.7(6) ?3, Z = 8. Despite the different electronic/steric characteristics of the arylimido ligands, the structures show no significant
differences in bond lengths or bond angles in the core {N–W(Cl)4–N} fragment and are similar to those reported for other arylimido tungsten tetrachloride complexes.
Index Abstract
The Synthesis, Crystal, and Molecular Structure of Two Mononuclear Arylimido Tungsten Tetrachloride Complexes, [WCl
4
(NC
6
H
4
I
-p
)
(CH
3
CN)]
and [WCl
4
(NC
6
H
3
-
2,6-
i-Pr
2
)(CH
3
CN)]
Jeffrey C. Duhacek, Tasneem A. Siddiquee, Dennis W. Bennett, and Dean C. Duncan*
The crystal and molecular structures of two new arylimido tungsten tetrachloride complexes are reported herein.
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