共查询到20条相似文献,搜索用时 46 毫秒
1.
Daniel J. Williams Daniel Gulla Kimberly A. Arrowood Lindsey M. Bloodworth Angela L. Carmack Taylor J. Evers Mark S. Wilson Javier J. Concepcion Carol A. S. Brevett Benjamin E. Huck Donald VanDerveer 《Journal of chemical crystallography》2009,39(8):581-584
Abstract A new compound, [Cd(mipit)4][PF6]2 has been synthesized and characterized via standard solid and solution state methods including single crystal X-ray crystallography
(mipit = 1-methyl-3-(2-propyl)-2(3H)-imidazolethione). The title compound crystallizes in tetragonal space group I4
1
/a with a = 12.478(2) ?, b = 12.478(2) ?, c = 28.806(6) ?, and Z = 4. The complex is a high melting, colorless solid that has a distorted tetrahedral CdS4 coordination geometry. Thermogravimetric analysis results for the title compound as well as for another potential CdS synthon
and two potential CdSe synthons are reported.
Graphical Abstract The synthesis and characterization of the title compound, a new ionic homoleptic cadmium complex, tetrakis[1-methyl-3-(2-propyl)-2(3H)-imidazolethione]cadmium(II)
hexafluorophosphate is reported. The results of a single crystal X-ray diffraction analysis reveal a distorted tetrahedral
CdS4 coordination sphere about the cadmium.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
2.
S. G. Bubbly S. B. Gudennavar Babu Verghese Dhanya Viswam C. Sudarsanakumar 《Journal of chemical crystallography》2008,38(8):641-644
Abstract The synthesis and crystal structure of 1,7-bis(4-chlorophenyl)-4-(1,3-dithiolan-2-ylidene)-1,6-heptadiene-3,5-dione is described.
This compound is a curcuminoid analogue, configurationally symmetric about the C4–C5 atoms and also retains the two fold axis
in the crystal phase. This compound crystallizes in the space group C2/c with unit cell parameters a = 19.203(1) ?, b = 13.147(1) ?, c = 8.801(1) ?, β = 112.99(1)°, with half a molecule in the asymmetric unit. The ketenedithioacetal functionality present between
the carbonyl groups prevents the possibility of keto-enol tautomerization in this compound. The push-pull nature of the ketenedithioacetal
functionality organizes the cinnamoyl groups parallel to each other.
Index Abstract The details regarding synthesis and crystal structure of the title compound which is a curcuminoid analogue is reported in
this paper.
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3.
Abstract Proton transfer occurred during co-crystallization of 1,2-(4-pyridyl)ethane with 2-(4-hydroxyphenylazo)benzoic acid to yield
a salt comprising a 1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions. Centrosymmetrically
related anions associate by charge-assisted O–H···O hydrogen bonds to form 24-membered {···OC3N2C4OH}2 synthons. These are connected into a supramolecular polymer via charge-assisted N–H···O hydrogen bonds involving the 1,2-bis(4-pyridinium)ethane
dications. The compound crystallizes in the triclinic space group P−1 with a = 8.517(4) ?, b = 9.110(5) ?, c = 10.477(5) ?, α = 96.850(13)°, β = 94.446(12)°, γ = 104.946(10)° and Z = 1 {two anions and a dication}.
Index Abstract Supramolecular chains mediated by charge-assisted O–H···O and N–H···O hydrogen bonding are found in the salt containing a
1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions.
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4.
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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5.
N. R. Thimmegowda G. Sarala C. S. Ananda Kumar S. Chandrappa S. B. Benaka Prasad Sridhar M. Anandalwar J. Shashidhara Prasad K. S. Rangappa 《Journal of chemical crystallography》2009,39(7):484-488
Abstract The compound, 7-chloro-5-cyclopropyl-9-methyl-10-(2-piperidin-1-yl-ethyl)-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a, d] cyclohepten-11-one,
C22H26N5ClO, crystallizes in the triclinic space group Pī with cell parameters a = 8.918(7) ?, b = 9.297(7) ?, c = 14.184(8) ?, V = 1095.98(1) ?3 and Z = 2. The final residual factor R
1 = 0.0451. The structure exhibits intermolecular hydrogen bonds. The 2-piperidin-1-yl-ethyl ring adopts a chair conformation.
The starting material used to synthesize the title compound is the intermediate compound of well known anti-HIV drug Nevirapine
hence the title compound is having biological importance and hence this crystal structure will helps to structural characterization
of the molecule and also for the molecular modeling it will helps for biological study.
Graphical Abstract The title compound 7-chloro-5-cyclopropyl-9-methyl-10-(2-piperidin-1-yl-ethyl)-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a, d]
cyclohepten-11-one was synthesized by condensation of 7-chloro-5-cyclopropyl-9-methyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a,
d] cyclohepten-11-one with 1-(2-chloro-ethyl)-piperidine hydrochloride in presence of anhydrous powdered potassium carbonate
as base using N,N-dimethyl formamide as solvent and its crystal structure determined. The title compound derived from bioactive molecule and
it is also having biological importance hence this crystal structure will helps for the structural characterization and the
biological study of the novel molecule.
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6.
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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7.
Abstract Ozagrel, (E)-3-[4-(1H-Imidiazol-1-ylmethyl)phenyl]-2-propenic acid, crystallizes with phosphoric acid from aqueous solution
to give the dihydrogen phosphate salt of ozagrel which crystallizes in the orthorhombic space group P212121 with a = 4.6901(14), b = 8.929(4), c = 34.558(13) ?, V = 1447.2(9) ?3, Z = 4, C13H15N2O6P, M
r
= 326.24, D
c
= 1.497 g/cm3. In the crystal structure, phosphate anions interact with ozagrel through two kinds of hydrogen bonds forming a 1D hydrogen-bonded
chain. Phosphate anions are hydrogen-bonded to each other through supramolecular synthon R33(12) forming a 1D double-chain structure which links ozagrel molecules into a 3D structure.
Index Abstract In crystal structure of the title compound, phosphate anions interact with ozagrel through two kinds of hydrogen bonds forming
a 1D hydrogen-bonded chain. Phosphate anions are hydrogen-bonded to each other through supramolecular synthon R33(12) forming a 1D double-chain structure which links ozagrel molecules into a 3D structure.
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8.
Jürgen Brüning Michael Bolte Martin U. Schmidt 《Journal of chemical crystallography》2009,39(4):256-260
Abstract The new toluene hemisolvate of the piperazinium salt of esomeprazole, ((S)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazole, C17H19N3O3S) has the composition piperazinium esomeprazolate 0.5 toluene. The unit cell has monoclinic P21 symmetry with the cell parameters a = 10.0903(16) ?, b = 16.234(3) ?, c = 15.316(2) ?, β = 92.746(12)°, V = 2,506.0(7) ?3. It contains four piperazinium, four esomeprazolate and two toluene molecules. The crystal structure exhibits intermolecular
hydrogens bonds within the layers and Van der Waals contacts between the layers. Additionally, three new crystal phases of
solvent-free piperazinium esomeprazolate were found.
Index Abstract The title compound is a toluene hemisolvate of the piperazinium salt of esomeprazole, ((S)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazole.
Single crystal X-ray diffraction analysis reveals that the molecules crystallize in layers. In a layer the molecules are held
together by classical hydrogen bonds whereas the layers on the other hand are connected by vdW
contacts.
相似文献
9.
Hande Petek Çiğdem Albayrak Mustafa Odabaşoğlu İsmet Şenel Orhan Büyükgüngör 《Journal of chemical crystallography》2008,38(12):901-905
Abstract The single crystal X-ray diffraction analysis of the title compound, C15H15NO3, shows that the structure is adopted to its NH tautomeric form and crystallizes in the orthorhombic space group P bcn with a = 21.2424(15) ?, b = 12.7696(9) ?, c = 9.3605(10) ?, Z = 8, V = 2539.1(4) ?3, D
c
= 1.346 g/cm3. The molecular conformation in the crystal is stabilized by an intramolecular H-bond and the crystal structure is stabilized
by the bifurcated O–H···O type intermolecular H-bonds. In order to understand the effects on conformational flexibility of
the title molecule, molecular energy profile was calculated as a function of the selected torsion angle by means of AM1 semi-empirical
method.
Index Abstract Molecular and crystal structure of [(Z)-2-ethoxy-6-[(2-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone], C15H15NO3, have been determined by single crystal X-ray diffraction study, and conformational analysis of the title molecule with respect
to the selected torsion angle has been achieved by AM1 semi-empirical calculations. 相似文献
10.
S. Rajeswari G. Venkatesa Prabhu D. Tamilvendan V. Ramkumar 《Journal of chemical crystallography》2009,39(9):650-654
Abstract A new mannich base 1-[(2,5-dioxopyrrolidin-1-yl)(phenyl)methyl] thiourea formed by the direct condensation of thiourea, succinimide
and benzaldehyde has been synthesized. The structure of this mannich base has been elucidated on the basis of micro elemental
analysis, IR, 1H NMR, 13C NMR, Mass and UV–Visible Techniques. The crystal structure of the title compound C12 H13 N3 O2 S was determined. It crystallizes in the monoclinic system, space group P21/c with a = 10.8234 (7) ?, b = 6.0355 (5) ?, c = 19.3692 (14) ?, β = 100.540(3)°, Z = 4 and V = 1243.94 (16) ?3. The structure was solved by the full-matrix least squares on F
2 and had a refined R value of 0.0465 for 1,964 observed reflections. The crystal structure is stabilized by strong intramolecular C–H···O, C–H···S
interactions and inter molecular N–H···O and S···S interactions.
Graphical Abstract This paper describes the spectroscopic and crystallographic studies of the title compound which is essential in ascertaining
the structure of this new compound.
相似文献
11.
John J. Allen Christopher E. Hamilton Andrew R. Barron 《Journal of chemical crystallography》2008,38(11):873-877
Abstract The molecular structure of quinolin-1-(2-quinolyl)-2-one mesitylimine has been determined. The Buchwald-Hartwig amination
of mesitylaniline with two equivalents of 2-chloroquinoline results in dearomatization of one quinoline heterocycle, forming
an imine with the mesitylaniline nitrogen and aminating the second 2-chloroquinoline via the cyclic nitrogen. The mesityl
and quinoline moieties are nearly perpendicular to the plane of the central quinolyl structure. Rationalization of the imine
formation is found by a consideration of the relative stability of the syn and anti conformations of the reaction intermediate. Crystal data: space group P21/c, a = 12.609(3), b = 15.010(3), c = 12.456(3) ?, β = 112.68(3)°; V = 2,175.3(8) ?3, Z = 4, R = 0.0649, wR2 = 0.1498.
Graphical Abstract The amination of mesitylaniline with two equivalents of 2-chloroquinoline results in dearomatization of one quinoline heterocycle,
forming an imine with the mesitylaniline nitrogen and aminating the second 2-chloroquinoline via the cyclic nitrogen.
相似文献
12.
Hüseyin Ünver Mustafa Yıldız Aşkın Kiraz Özen Özgen 《Journal of chemical crystallography》2009,39(1):17-23
Abstract The Schiff base (Z)-6-[(2-hydroxyphenylamino)methylene]-2-methoxycyclohexa-2,4-dienone has been synthesized from the reaction of 2-aminophenol
with 2-hydroxy-3-methoxybenzaldehyde. The title compound has been characterized by elemental analysis, FT-IR, 1H-NMR, 13C-NMR and UV–Visible techniques. The structure of the title compound also was determined crystallographically. The crystal
structure has been solved by direct methods and refined by full-matrix least squares. The title compound crystallize in the
monoclinic space group P21/c with a = 10.438(1), b = 8.851(1), c = 12.746(1) ?, β = 95.72(1)°, V = 1171.7(2) ?3, D
x
= 1.379 g cm−3, respectively (R1 = 0.0522 and wR2 = 0.126 for 1442 reflections [I > 2σ(I)]).
Index Abstract
N-salicylideneaniline derivatives have been shown to exist as tautomeric forms due to intramolecular proton shifts between
the phenol-oxygen and the imine-nitrogen, via intramolecular hydrogen bonding O–H···N or O···H–N.
相似文献
13.
Arzu Özek Çiğdem Albayrak Mustafa Odabaşoğlu Orhan Büyükgüngör 《Journal of chemical crystallography》2009,39(5):353-357
Abstract The crystal structure of C14H12ClNO2 was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) ?, b = 4.5101(3) ?, c = 12.0534(11) ?, α = 90.00o, β = 113.669(6)o, γ = 90.00o, Z = 2, Dx = 1.393 mg/m3, μ (MoKα) = 0.298 mm−1. The title compound is photochromic and molecule is non-planar. It adopts a phenol–imine tautomeric form with a strong intramolecular
O–H···N hydrogen bond and a strong intermolecular C–H···O hydrogen bond. Minimum energy conformations AM1 were calculated
as a function of the three torsion angles θ1(C10–C9–N1–C8), θ2(C9–N1–C8–C1) and θ3(N1–C8–C1–C6), varied every 10°. As in the X-ray experiment results, molecule has an angle that makes it non-planar between
two aromatic rings in AM1 optimized geometry.
Graphical Abstract Molecular and crystal structure of [(E)-2-[(3-chlorophenylimino)methy])-4-methoxyphenol], C14H12ClNO2, have been determined by single crystal X-ray diffraction study, and conformational analysis of the title molecule with respect
to the selected torsion angle has been achieved by AM1 semi-empirical calculations.
相似文献
14.
Chun-nian Xia Wei-xiao Hu Wei Zhou Guo-hong Wang 《Journal of chemical crystallography》2008,38(8):583-586
Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation of protocatechualdehyde with monoheptyl-malonate and recrystallized from
benzene, was confirmed by single-crystal X-ray diffraction (CCDC 272827). The compound crystallizes in triclinic space group
Pī with cell parameters a = 5.296(3) ?, b = 10.711(13) ?, c = 13.870(4) ?, α = 98.84(7)°, β = 90.97(4)°, γ = 96.77(7)° and
Z = 2. The structure is the E isomer and its packing is stabilized by intermolecular O–H···O and C–H···O hydrogen bonds.
Index Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation, was confirmed by single-crystal X-ray diffraction showing its structure
is in E isomer and its packing is stabilized by hydrogen bonds.
相似文献
15.
Nazan Ocak-İskeleli Hasan Karabıyık Çiğdem Albayrak Erbil Ağar 《Journal of chemical crystallography》2008,38(9):671-677
Abstract The single crystal X-ray diffraction analysis of the title compound, C15H16N2O, reveals that its molecules exhibit whole-molecule disorder at both crystal lattice sites due to pedal motion in solid state.
The compound crystallizes in the monoclinic space group P 21/c with a = 20.5504(14) ?, b = 10.8887(5) ?, c = 12.0191(8) ? and β = 96.927(5)°. While major pedal conformers of the compound in solid state are stabilized by intermolecular O–H···N type hydrogen
bonds leading to the formation of C(7) chains at Site 1 and C(8) chains at Site 2 along [0 1 0] axis, C–H···π type intermolecular interactions between major and minor conformers also
serve to stabilize minor pedal conformers. An interesting feature about the crystal structure is that pedal conformers at
Site 1 have two different occupancy factors arising from desynchronization of pedal motion along [2 1 0] direction in crystal
phase. Quantum chemical calculations at the B3LYP/6-31++G** level suggest that the desynchronization of pedal motions make
more unstable pedal conformers at Site 1 than those at Site 2.
Index Abstract Molecular and crystal structure of (E)-4-[(4-ethylphenyl)diazenyl]-2-methylphenol, C16H18N2O, indicate desynchronization of pedal motion and the quantum chemical calculations at level of B3LYP/6-31++G** suggest that
desynchronization of pedal motions make more unstable pedal conformers.
相似文献
16.
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.
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17.
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.
相似文献
18.
Benson M. Kariuki Ludovic G. Bonnet John E. Warren 《Journal of chemical crystallography》2009,39(10):693-697
Abstract Investigation of the thermal properties of triphenylphosphonium p-toluenesulfonates, which are high temperature ionic liquids, reveals that they solidify to a noncrystalline material on fast
cooling from the melt. During the study, a second crystalline form of [1-(methoxycarbonyl) ethyl] triphenylphosphonium p-toluenesulfonate (form II) has been obtained. Form II is monoclinic P21/c, with a = 11.002(5)?, b = 12.793(5)?, c = 18.805(5)?, and β = 102.498(5)°. Comparison with form I reveals the existence
of a common robust structural feature involving interactions between cations and anions.
Graphical Abstract Investigation of thermal properties of ionic liquids has revealed a second crystalline form of [1-(methoxycarbonyl) ethyl]
triphenylphosphonium p-toluenesulfonate.
相似文献
19.
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
20.
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.
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