Abstract Crystal structures for the isomeric compounds benzyl-(2-chloro-6-methylpyrimidin-4-yl)amine (1), as its hemi-hydrate, and benzyl-(4-chloro-6-methylpyrimidin-2-yl)amine (2) have been determined. Conformational differences lead to multiple molecules, i.e. two and three, in their respective structures.
Layers feature in each of the crystal structures and are stabilized by substantial hydrogen-bonding interactions. Compound
(1) crystallizes as a hemi-hydrate in the triclinic space group P-1 with a = 8.667(5) ?, b = 11.421(7) ?, c = 12.954(8) ?, α = 78.330(10)°, β = 84.553(10)°, γ = 75.510(9)°, and Z = 4. Compound (2) crystallizes in the monoclinic space group P21/c with a = 10.740(3) ?, b = 21.487(6) ?, c = 14.914(4) ?, β = 95.014(5)°, and Z = 12.
Index Abstract Substantial hydrogen-bonding interactions leading to layer structures feature in each of the crystal structures of the isomeric
title compounds.
Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users. 相似文献
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, LH2 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
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
Abstract The title compound, 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane was synthesized by ferrocene- carboxaldehyde with 2-hydrazono-1,3-dithiolane
and characterized by elemental analysis, 1H NMR, IR, UV-Vis and single crystal XRD. The crystal belongs to orthorhombic, space group Fdd2 with unit cell parameters a = 27.487(4) ?, b = 35.239(6) ?, c = 6.0517(9) ?, V = 5861.7(16) ?3, Z = 16, Dc = 1.497, Mr = 330.24, μ = 1.300 mm−1, F(000) = 2720, R1 = 0.0413, and wR2 = 0.0753. The molecule is the anti-rotamer of the trans-isomer and every molecule joins each other to a zig-zag chain through
the intermolecular unclassical hydrogen-bonds of C(7)–H(7)···N(1) (3.449(8) ?, 172°). Further every chain self-assembles into
a three-dimensional networking structure via another intermolecular unclassical hydrogen-bonds of C(1)–H(1A)···π/Cg (3.597(7) ?,
143°) and the weak inter molecular interaction forces of C(4)–H(4)···S(1) (3.742(7) ?, 139°) and C(14)–H(14)···H(6) (3.080(7) ?,
134°).
Graphical Abstract
Synthesis and Structure of 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane
Yonghong Liu, Xiangqian Dai, Xiaolan Liu, Wei Xu, and Rong Guo
College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, P.R. China
The title compound was synthesized and characterized by elemental analysis, 1H NMR, 13C NMR, IR, UV-Vis and single crystal
XRD.
相似文献
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
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 Ia = 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, Dcal = 1.284 Mg m−3, and R = 0.0382 (wR = 0.0978); compound IIa = 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, Dcal = 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
Abstract The cadmium(II) complex [Cd(phba)2(bim)(H2O)2]n (1) (phba = 4-hydroxybenzoate, bim = 1,2-bis(imidazol-1-yl)ethane) has been synthesized and structurally characterized by X-ray
diffraction analysis. It crystallizes in the monoclinic space group C2/c, a = 23.820(4) ?, b = 9.5331(14) ?, c = 11.1086(19) ?, β = 111.519(4)°, V = 2346.7(7) ?3, Z = 4. The coordination geometry of Cd(II) atom is distorted octahedral; it is coordinated by two nitrogen atoms from the imidazole
rings of two symmetry-related bim molecules, and four oxygen atoms from two symmetry-related phba anions and two water molecules.
The Cd(II) atoms are bridged by bim molecules to form a one-dimensional chain.
Graphical abstract
Synthesis and crystal structure of a
one-dimensional chain cadmium
coordination polymer bridged
through 1,2-bis(imidazol-1-yl)ethane
Yuping Zhang, Liyan Wang,
Shouwu Wang, Baolong Li, Yong Zhang
The cadmium(II) complex [Cd(phba)2(bim)(H2O)2]n (1) has
been synthesized and structurally characterized by X-ray
diffraction analysis. The coordination geometry of Cd(II) atom
is distorted octahedral; it is coordinated by two nitrogen atoms
from the imidazole rings of two symmetry-related bim ligands,
and four oxygen atoms from two symmetry-related phba anions
and two water molecules. The Cd(II) atoms are bridged by bim
ligands to form a one-dimensional chain. 相似文献
Abstract Two new palladium(II) complexes, dichloro-{bis(3,5-dimethylpyrazol-1-yl)acetic acid}palladium(II)PdCl2(3,5-Me2bpza)], (1) (3,5-Me2bpza = 3,5-dimethylpyrazol-1-yl)acetic acid) and dichloro-{bis(3,5-ditertbutylpyrazol-1-yl)acetic acid}palladium(II), [PdCl2(3,5-tBu2bpza)], (2a) [3,5-tBu2bpza = 3,5-ditertiarybutylpyrazol-1-yl)acetic acid] complexes, were synthesized from the reactions of pyrazol-1-yl ligands
with palladium salts. Attempts to crystallize 2a led to a hydrolyzed product, dichloro-{3,5-ditertbutylpyrazol-1-yl}palladium(II) (2b), in which the acetic acid moiety in the ligand backbone of 1 is lost. Both complexes 1 and 2b have been characterized by single-crystal X-ray crystallography. Both complexes crystallized in triclinic system (P − 1 space group). The cell parameters are: complex 1 (a = 8.7960(14) Å, b = 16.238(2) Å, c = 16.430(2) Å, α = 78.038(10)°, β = 77.817(11)°, γ = 89.970(10)°) and complex 2b (a = 10.1492(2) Å, b = 12.4001(2) Å, c = 13.108(3) Å, α = 103.0690(10)°, β = 97.4120(10)°, γ = 107.2450(10)°). The asymmetric unit of 1 contains two crystallographic independent monomeric units of 1 and three molecules of DMSO solvent, whilst that of 2b has got one monomeric unit with one molecule of chloroform solvent.
Index Abstract Two palladium complexes, dichloro-{bis(3,5-dimethylpyrazol-1-yl)acetic acid}palladium(II), PdCl2(3,5-Me2bpza)], (1) (3,5-Me2bpza = 3,5-dimethylpyrazol-1-yl)acetic acid) and dichloro-{bis(3,5-ditertbutylpyrazol-1-yl)acetic acid}palladium(II), [PdCl2(3,5-tBu2bpza)], (3,5-tBu2bpza = 3,5-ditertiarybutylpyrazol-1-yl)acetic acid) complexes, were synthesized from the reactions of pyrazol-1-yl ligands
with palladium salts. Attempt to obtain crystals of tertiarybutylpyrazolyl analogue led to hydrolysis, the crystal structure
of the hydrolysis product was established by single crystal X-ray crystallography.
相似文献
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
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 AcidBalachandra 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
A co-crystal of cobalt(II) complexes, Co(AMTTO)2(CH3CN)2]2+(NO3)2. [Co(AMTTO)2(H2O)2]2+(NO3)2, compound (1) was isolated from the reaction of Co(NO3)2?6H2O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine (AMTTO) in acetonitrile as solvent. Isolated crystals were characterized by elemental analyses, IR spectroscopy as well as X-ray diffraction studies. Crystal data for 1 at 95 K revealed a monoclinic space group P21/n, a?=?11.7903(5), b?=?12.1279(5), c?=?14.1443(6) Å, β?=?99.244(4)°, Z?=?2, R1?=?0.0339. Compound 1 consists of two co-crystallized Co(II) complexes [Co(AMTTO)2(CH3CN)2]2+ and [Co(AMTTO)2(H2O)2]2+ and four nitrate counter anions In both complexes, cobalt(II) ions are in an octahedral arrangement. Two S, N bidentate AMTTO ligands are coordinated to both Co(II) ions. The coordination sphere of Co1 is completed by two acetonitrile molecules, and these positions are occupied by water molecules for Co2.
Graphic Abstract
A co-crystal of cobalt(II) compound was isolated from the reaction of Co(NO3)2?6H2O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine in acetonitrile as solvent.
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
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 Dc = 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
Abstract The new coordination polymer, [Cd(BIM)2(NO3)2]n, has been prepared from the reaction of bis(imidazol-1-yl) methane (BIM) with Cd(NO3)2 in methanol and water. The compound were characterized by single crystal X-ray diffraction and IR spectroscopy, it crystallizes
in the monoclinic space group C2/m with a = 14.400(3) ?, b = 9.3894(18) ?, c = 8.6926(17) ?, β = 123.499(2)°, V = 980.1(3) ?3, Z = 2. The Cd atoms are coordinated to four nitrogen atoms from four different BIM ligands and two nitrates to form a slightly
distorted octahedral geometry. Further, the BIM ligands act as a bridged ligand to form 1D infinite cationic double chain
with a 16-membered macrometallacyclic tetragonal box structure.
Graphical Abstract
Synthesis and Crystal Structure of a New Coordination Polymer from Cadmium and V-Shape Ligand Bis(imidazol-1-yl) methane
Chuan-Ming Jin*, Ling-Yan Wu, Zhen-Xing Zhong
A new coordination polymer with 1D infinite cationic double chain with a 16-membered macrometallacyclic tetragonal box structure
has been prepared from the reaction of bis(imidazol-1-yl) methane (BIM) and Cd(NO3)2.
相似文献
Abstract A new complex [Co(H2pztc)(bpy)H2O] (H4pztc = pyrazine-2,3,5,6-tetracarboxylic acid, bpy = 2,2′-bipyridine) has been synthesized by hydrothermal reactions of Co(NO3)2 · 6H2O with H4pztc and bpy and characterized by IR and X-ray diffraction single crystal structure analysis. It belongs to monoclinic system,
P21/c space group with a = 13.454(2) ?, b = 12.939(2) ?, c = 11.4993(19) ?, α = 90°, β = 111.640(3)°, γ = 90°. This complex is assembled into 3D supramolecular architecture by hydrogen bonds (O–H···O, C–H···O).
Index Abstract A new complex of cobalt(II) with pyrazine-2,3,5,6-tetracarboxylic acid and 2,2′-bipyridine is assembled by intermolecular
hydrogen bonds forming 2D layer and 3D supramolecular network.
相似文献
The compound, 2-hydroxy-[1,2-di(pyridin-2-yl)]ethane-1-one, 1, was isolated from the reaction of 2-pyridinecarboxaldehyde and 2-pyridinemethanol at 140°C without catalyst or solvent and characterized by1H-NMR and IR spectral data. The compound 1 was treated with ethyl acetate to produce the 1,2-di(pyridin-2-yl)ethane-1,2-dione, 2. When 2 was dissolved in an excess of CH3OH, crystals of 1,2-dimethoxy-1,2-di(pyridin-2-yl)-1,2-ethanediol, 3, were obtained. The molecular and crystal structure of 3 was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system belonging to the P21/n space group with a = 6.867(2) ?, b=9.546(4) ?, c=10.522(5) ?, α=90°, β=98.48(4)°, γ=90°. The asymmetric unit comprises two molecules of 3. Although the di-hemiketal was obtained in crystal form, it was found to be unstable, because its IR spectrum changed after a short time, indicating that it had been converted back to the original diketone, 2. The IR showed signals at 1713, and 1690 due to νC =O assigned to di-ketone group. 相似文献
The crystal structures of the new compounds 1,3-bis(((2-methylthio)phenylimino)methyl)benzene (1), 1,4-bis(((2-methylthio)phenylimino)methyl)benzene (2), and 1,4-bis(1-((2-methylthio)phenylimino)ethyl)benzene (3) were obtained by single crystal X-ray diffraction. Compound 1 crystallizes in the orthorhombic space group Pna21 with a=16.8250(13) ?, b=18.1068(13) ?, c=6.3086(5) ?; and Z=4. Compound 2 crystallizes in the triclinic space group with a=6.7532(7) ?, b=9.4433(9) ?, c=15.2473(15) ?; and α=86.339(2)°, β=80.609(2)°, γ=80.962(2)°; and Z=2. Compound 3 crystallizes in the triclinic space group with a=6.787(3) ?, b=7.517(3) ?, c=10.653(4) ?; and α=89.998(7)°, β=72.341(7)°, γ=75.998(7)°; and Z=1. Details of the synthesis, structures, and spectroscopic results are discussed. 相似文献
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
Abstract The crystal structures of four bis-phenols are reported to substantiate the fact that the weak interactions play a major role
in the crystal packing of bis-phenols. The reaction of 2,4-dimethylphenol with aldehydes such as 2-naphthaldehyde, terephthaldehyde
in the presence of trifluoracetic acid gave 2-[bis(2-hydroxy 3,5-dimethylphenyl)methyl]naphthalene (1) and 4-[bis(2-hydroxy 3,5-dimethylphenyl) methyl]benzaldehyde (2), respectively. The 2-[bis-(2-hydroxy 3,5-dimethylphenyl)-methyl]naphthalene (1) crystallizes in orthorhombic, Pbca, a = 11.905(3) ?, b = 18.788(5) ?, c = 18.894(5) ?, 4-[bis(2-hydroxy 3,5-dimethylphenyl)methyl] benzaldehyde (2) in monoclinic, Cc, a = 8.880(3) ?, b = 16.394(7) ?, c = 13.700(5) ?, γ = 104.542(2)°. The reaction of 2-nitrobenzaldehyde with 2,4-dimethylphenol gave 2-benzo[c] isoxazo-3-yl
4,6-dimethylphenol (3) and its crystal parameters are orthorhombic, P212121, a = 7.737(6) ?, b = 11.885(9) ?, c = 13.336(8) ?. The reaction of 2,6-dimethylphenol with 4-nitrobenzaldehyde and 2-chlorobenzaldehyde gave bis(4-hydroxy 3,5-dimethylphenyl)(4-nitrophenyl)methane
(4) and bis(4-hydroxy 3,5-dimethylphenyl)(2-chlorophenyl)methane (5), respectively. The bis(4-hydroxy 3,5dimethylphenyl)(4-nitrophenyl)methane (4) crystallizes in monoclinic, C2/c, a = 25.921(1) ?, b = 12.202(4) ?, c = 15.6084(7) ?, β = 122.172(4)°, and bis(4-hydroxy 3,5-dimethylphenyl) (2-chlorophenyl)methane crystallizes as acetonitrile
solvate (5) in triclinic, P-1, a = 12.314(3) ?, b = 14.111(3) ?, c = 15.078(5) ?, α = 98.268(2)°, β = 111.268(2)°, γ = 114.304(1)˚. The unit cell of 5 contains two pairs of crystallographically unsymmetric molecules of bis-phenols.
Index abstract The crystal structures of four bis-phenols are reported to substantiate the fact that the weak interactions plays a major
role in crystal packing and can induce symmetry non-equivalence among bis-phenols in unit cell of bis-phenols.
相似文献
Abstract A new compound, [Cd(dmise)4][PF6]2, has been synthesized and characterized via standard solid and solution state methods including single crystal X-ray crystallography
(dmise = 1,3-dimethyl-2(3H)-imidazoleselone). The title compounds crystallizes in orthorhombic space group P bcn with a = 12.783(3), b = 22.206(4), c = 13.153(3) ?, V = 3733.8(13) ?3, Z = 4. The complex is a high melting, yellow water soluble 2:1 electrolyte solid that state has a flattened tetrahedral
CdSe4 coordination geometry. To date this is the only structural study reported for a homoleptic selenourea complex of cadmium.
Graphical abstract
The Preparation, characterization and X-ray structural analysis of Tetrakis[1,3-dimethyl-2(3H)-imidazoleselone]cadmium(II)
hexafluorophosphate
Daniel J. Williams, Bradley J. McKinney, Ben Baker, Kevin P. Gwaltney and Donald
VanDerveer
Tetrakis[1,3-dimethyl-2(3H)-imidazoleselone][PF6]2 is prepared in 82% yield by direct combination of cadmium acetate dihydrate, ammonium hexafluorophosphate, and the ligand
in boiling acetonitrile. X-ray crystallography shows a structure with a distorted tetrahedral coordination sphere around the
cadmium. This is the first report of a structural characterization of a homoleptic cadmium selenourea complex.
Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users. 相似文献