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1.
Jeffrey R. Deschamps Clifford George Judith L. Flippen-Anderson H. A. Musallam 《Journal of chemical crystallography》1991,27(9):541-548
The structures of four imidazolium oxime derivatives were solved by direct methods. These compounds have been shown to be
effective in the treatmen of organophosphate poisoning. Despite substantial differences in the nature of the substituent on
N1, all four compounds have similar shapes when viewed down the plane of the imidazole ring. The potency of these compounds
in the treatment of organophosphate poisoning correlates well with the distance between the imidazole ring and the oxygen
moiety on the side chain. 2-(hydroxyimino)methyl-3-methyl-1-[1-(3-methyl-sulfonylpropyloxy) methyl]imidazolium chooride (1) crystallizes in the triclinic space groupPī (Z=2). The unit cell parametersa, b, c (?) and α, β, and γ (o) were: 8.506(2), 8.787(4), 10.070(4), 73.68(3), 81.37(3), 85.39(3). 2-(hydroxyimino)-methyl-3-methyl-1-(2′-N-phenylsulfonylamino-1′-ethyl)
imidazolium chloride (2) crystallizes in the monoclinic space groupP2
1
la(Z=4). The unit cell parametersa, b, c (?) and β (o) were: 12.690(2), 6.317(4), 20.193(4), 91.47(2). 1-(2′-ethyl-2′-trifluoromethanesulfonyl-aminoethyl)-2-(hydroxyimino) methyl-3-methylimidazolium
chloride (3) crystallizes in the triclinic space groupPī (Z=2). The unit cell parametersa, b, c (?) and α, β, and γ (o) were: 6.635(1), 11.333(2), 12.274(3), 115.05(3), 98.46(3), 90.11(3). 2-(hydroxyimino)-methyl-3-methyl-1-[2-(2-methyl-3-nitrobutyloxy)
methyl]-imidazolium chloride (4) crystallizes in the orthorhombic space groupP212121 (Z=4). The unit cell parametersa, b, andc (?) were: 10.034(1), 11.401(2), 13.352(2). 相似文献
2.
The crystal structures of (i) CH3(C9H6O2)SO2C6H5 and (ii) CH3(C8H8O2)SO2−C6H5 have been determined by X-ray diffraction. (i) crystallizes in the monoclinic space groupP21/c with unit cell parametersa=8.814(1)?,b=10.310(1)?,c=15.841(4)?, β=98.17(1)o, andZ=4, and (ii) crystallizes in the orthorhombic space groupP212121 with unit cell parametersa=6.206(1)?,b=11.752(5)?,c=19.865(3)?, andZ=4. The pyran ring in both of them is in the distorted half-chair conformation with differeing degrees of distortion from
the ideal. 相似文献
3.
Noorjahan Begum Md. Iqbal Hyder G. M. Golzar Hossain Shariff E. Kabir Shafali R. Karmakar 《Journal of chemical crystallography》2005,35(10):799-807
Treatment of [Os3(CO)12] with indole in presence of a methanolic solution of Me3NO⋅2H2O at 60∘C afforded the previously reported compounds [(μ-H)Os3(CO)10(μ-OMe)] 2, [(μ-H)Os3(CO)10(μ-OH)] 3 and [Os3(CO)10(μ-OH)(μ-OMeCO)] 4 in 10, 5 and 20% yields, respectively. The reaction of [Os3(CO)10(MeCN)2] with indole at room temperature gave [(μ-H)Os3(CO)10(μ-1,2-η2-NC8H6)] 5 in 40% yield. Compounds 4 and 5 have been characterized by single crystal X-ray diffraction studies. Compound 4 crystallizes in the monoclinic space group P2(1)/c with a = 23.1239(3), b = 9.8087(4), c = 16.9017(6) ?, β = 92.6998(14)∘, Z = 8 and V = 3829.3(2) ?3 and 5 crystallizes in the monoclinic space group P2(1)/c with a = 9.009(3), b = 9.764(4), c = 24.906(6) ?, β = 93.452(14)∘, Z = 4 and V = 2186.9(13) ?3. Compound 4 consists of an open cluster of three osmium atoms with the hydroxy and methoxycarbonyl ligands bridging the open Os–Os edge.
Compound 5 consists of an isosceles triangle of osmium atoms with one elongated Os–Os edge which is bridged by the hydride and the indolyl
ligands. 相似文献
4.
Jesús Valdés-Martínez Manuel Rubio Raul Cetina Rosado Javier Salcedo-Loaiza Rubén A. Toscano Georgina Espinosa-Pérez Simón Hernandez-Ortega Klaus Ebert 《Journal of chemical crystallography》1994,27(11):627-634
The crystal structure of 5-methyl-acetophenonethiosemicarbazone monohydrate,A, and salicylaldehyde-2-methylthiosemicarbazone monohydrate,B, were determined using single crystal X-ray diffraction.A crystallizes in the monoclinic space groupC2/c, with lattice parametersa=14.161(2),b=15.753(1) ?,c=11.084(1) ?, β=112.59(1)° andZ=4, yielding a calculated density ofD
calc=1.352 mg/m3.B crystallizes in the triclinic space groupP1, witha=7.233(2) ?,b=7.371(2) ?,c=11.841(2) ?, α=82.77(2)°, β=78.33(2)°, γ=63.06(2)° andD
calc=1.371 mg/m3 forZ=2,. In bothA andB the immine nitrogen and the sulfur atom areanti with respect to N2-C8. WhileA presents the usual intramolecular six membered hydrogen bond ring,B has instead an intermolecular hydrogen bond between the hydroxy moiety of the salicyladehyde and a water molecule. AM1 calculations
agree with the experimental conformations observed in both compounds.
Contribution No. 1619 of the Instituto de Química, UNAM. 相似文献
5.
《Journal of chemical crystallography》1991,27(7):391-395
[Cd(C5H4O4)(OH2)2] (1), crystallizes in the monoclinic system, space groupP21/n, with lattice parametersa=7.323(2),b=16.028(6),c=7.202(2) Å, β=113.11(1)°, andZ=4. The Cd atom coordinates to seven oxygens in a monocapped trigonal antiprism fashion. The antiprisms share one vertex to
form chains which run approximately parallel to thec axis. The itaconate ligands link the chains to form layers which stack along theb axis. 相似文献
6.
B. J. Poppleton 《Journal of chemical crystallography》1980,10(5-6):103-113
The title compound CI, C25H20O1, crystallizes in the monoclinic space groupCc with cell parametersa = 1.0186(2),b = 1.6327(6),c = 1.1000(4) nm, = 99.43(2) °,Z = 4, andV = 1.8047 nm3; title compound CII, C25H20O1, crystallizes in the tetragonal space groupP42/n with cell parametersa =b = 2.4218(7),c = 0.6352(2) nm,Z = 8, and V = 3.7255 nm3. Both structures were refined by full-matrix least squares using diffractometer data to reliability indices (R) of 0.048 and 0.053, respectively. In each structure one single carbon-carbon bond, C2a-C8b, was significantly elongated (4.5 pm), otherwise the geometry observed was not unusual. 相似文献
7.
The crystal structures of the new compounds 2,6-bis-hydrazinopyridine dihydrate (2), its tosylate salt (3) and 2,6-bis-(3,5-di-tert-butylpyrazolyl)pyridine (4) were obtained by single-crystal X-ray diffraction. Crystallization of 2 occurs in the centrosymmetric monoclinic space group P21/c (No. 14) with a = 9.6218(18), b = 6.7331(12), c = 13.489(3); and β = 109.292(8)∘ and Z = 4. Crystallization of 3 occurs in the centrosymmetric monoclinic space group P21/c (No. 14) with a = 26.530(3), b = 16.6456(18), c = 9.9458(10) and β = 96.828(5) and Z = 8, while 4 crystallizes in P21/n (No. 14) with a = 15.0555(10), b = 10.4496(7), c = 16.9599(12) and β = 101.480(4) and Z = 4. These are the only structures for any bis-hydrazinopyridines reported to date. Details of the synthesis, structures
and spectroscopic results are presented and discussed. 相似文献
8.
W. Mark Barnett Geng Lin Harvest L. Collier Russell G. Baughman 《Journal of chemical crystallography》1991,27(7):423-427
1,1′-Di(methylacetato)-2,2′-biimidazole, C12H14N4O4, crystallizes from methanol in the space groupP2
1/c, wherea=9.535(2),b=13.385(2),c=5.1208(8) Å,V=652.2(2) ?3, andZ=4.1,1′-Di(chloroethoxyethyl)-2,2′-biimidazole, C14H20Cl2N4O2, crystallizes from cyclohexane in the space groupPbca, wherea=12.372(2),b=8.959(2),c=14.840(2) Å,V=1644.9(5) ?3, andZ=8. The structures were refined toR=0.041 (1380 observed reflections) andR=0.043 (3243 observed reflections), respectively. Both molecules crystallize with coplanar rings and the substituents assume
atrans configuration with a center of inversion between the bridging carbon atoms. 相似文献
9.
Judith L. Flippen-Anderson Peter D'Antonio John H. Konnert 《Journal of chemical crystallography》1984,14(6):565-572
The crystal structures of (E)-5-hydroxypyrrolizidin-3-one (2) and (Z)-5-thioketalpyrrolizidin-3-one (3) have been determined by single-crystal x-ray diffraction techniques and refined by full-matrix least squares. Molecule2 crystallizes in the monoclinic space groupP21/a(No. 14) witha=7.887(3) Å,b=9.788(5) Å,c=9.316(4) Å,=100.6(1), andZ=4. Molecule 3 crystallizes in the monoclinic space groupP21/c witha=12.947(14) Å,b=10.553(14) Å,c=9.629(14) Å,=101.4(1), andZ=4. The calculated density for both molecules is 1.33 g cm–1. FinalR-factors were 5.1% for2 and 8.59% for3. The x-ray results showed that a change in configuration occurred in the reaction going from2 to3. 相似文献
10.
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
11.
Abstract The two 1-aryl-5-methyl-1,2,3-triazole derivatives were prepared by the 1-aryl-5-methyl-1,2,3-triazol-4-carboxylic acids 3. The yielded products 4a–b were confirmed by NMR, MS, IR spectra. We investigated the crystalline structure of compounds 4a and 4b. Compound 4a, C9H8BrN3, Mr = 238.09, crystallizes in the monoclinic space group P2(1)/n with unit cell parameters a = 11.660(2), b = 7.668(2), c = 11.818(2) ?, α = 90.00, β = 116.01(3), γ = 90.00o. V = 949.6(3) ?3, Z = 4, Dx = 1.665 Mg m−3. The final R was 0.0477. Compound 4b, C13H11N3, Mr = 209.25, crystallized in the orthorhombic space group Pbca with unit cell parameters a = 10.373(2) ?, b = 11.691(2) ?, c = 17.579(4) ?, α = 90.00o, β = 90.00o, γ = 90.00o, V = 2131.8(7) ?3, Z = 8, D
m = 1.304 Mg m−3. The final R was 0.0565.
Index Abstract The two 1-aryl-5-methyl-1,2,3-triazole derivatives were prepared by the 1-aryl-5-methyl-1,2,3-triazol-4-carboxylic acids 3. The yielded products 4a–b were confirmed by NMR, MS, IR spectra. We investigated the crystalline structure of compounds 4a and 4b. Compound 4a, C9H8BrN3, Mr = 238.09, crystallizes in the monoclinic space group P2(1)/n with unit cell parameters a = 11.660(2), b = 7.668(2), c = 11.818(2) ?, α = 90.00, β = 116.01(3), γ =90.00o. V = 949.6(3) ?3, Z = 4, Dx = 1.665 Mg m−3. The final R was 0.0477. Compound 4b, C13H11N3, Mr = 209.25, crystallized in the orthorhombic space group Pbca with unit cell parameters a = 10.373(2) ?, b = 11.691(2) ?, c = 17.579(4) ?, α = 90.00o, β = 90.00o, γ = 90.00o, V = 2131.8(7) ?3, Z = 8, D
m = 1.304 Mg m−3. The final R was 0.0565.
相似文献
12.
《Journal of chemical crystallography》1994,27(11):635-639
The germacrolide-class sesquiterpene lactone, 1,10-epoxyparthenolide, C15H20O4,1, crystallizes with two independent molecules in monoclinic space groupP21 witha=10.6845(5),b=9.0763(4),c=15.4326(7) ?, β=105.887(4)°,V=1439.4(3) ?3,Z=4.R=0.037 for 2425 observed data. Its 11βH, 13-dihydro-derivative 1,10-epoxydihydroparthenolide, C15H22O4,2, crystallizes in orthorhombic space groupP212121 witha=7.6414(10),b=12.559(2),c=14.6821(14) ?,V=1409.0(3) ?3
Z=4.R=0.031 for 1555 observed data. The corresponding unexposidized compound, 11βH,13-dihydrocostunolide, C15H22O2,3, crystallizes with three independent molecules in orthorhombic space groupP212121 witha=7.3576(5),b=23.505(3),c=24.185(2) ?,V=4182(1) ?3,Z=12.R=0.070 for 2767 observed data. In all, the 10-membered rings adopt approximate chair-chair conformations. In all, the double
bonds or epoxidized double bonds are E, both methyl groups on the 10-ring are β, and the α-methylene-γ-lactone (or α-methyl-γ-lactone)
istrans-fused at C6 and C7 with H6 β and H7 α. In the dihydro compounds, the H at C11 is β. 相似文献
13.
Xiu-Jian Wang Yi-Min Jiang Jun-Bo Wang Xin-Xian Zhong 《Journal of chemical crystallography》2005,35(11):885-889
The title compound, Cu3(Bipy)2(L1)2(L2)2⋅4H2O, was synthesized in the methanol solution of Bipy and Cu(II) in the presence of 1-((2-sulfonate-ethylimino)-methyl)-2-naphthol
(L1), which was condensation compound of taurine and 2-hydroxy-1-naphthaldehyde. This complex crystallized in the space group
P-1 with a = 9.825(2) ?, b = 12.626(2) ?, c = 14.342(3) ?, α = 90.29(1)∘, β = 100.67(1)∘, γ = 101.67(2)∘, and Z = 2. In the trinuclear Cu(II) complex, there are two type Cu atoms which have square and square pyramid geometries, respectively.
The Cu–N distances vary from 1.965(3) to 2.000(4) ?, while the Cu–O distances are between 1.896(3) and 2.337(4) ?. 相似文献
14.
《Journal of chemical crystallography》1994,27(11):641-644
The heliangolide-class sesquiterpene lactone 8β-angeloyloxy-9α-acetoxycalyculatolide, C22H26O8,1, crystallizes in orthorhombic space groupP212121 witha=12.455(3),b=12.601(3),c=14.023(5) ?,V=2200(1)?,3
Z=4.R=0.059 for 1735 observed data. The 11,13-dihydro-11α, 13-epoxyatripliciolide-8β-angelate, C20H22O7. 1/2 H2O,2, crystallizes as the hemihydrate with two molecules in the asymmetric unit in triclinic space groupP1 witha=9.422(1),b=9.559(1),c=12.358(3) ?, α=101.62(2)°, β=91.30(2)°, γ=117.80(1)°,V=955.6(7)?3,Z=2.R=0.046 for 3607 observed data. In both, the 10-membered rings adopt approximate chair-boat conformations. Their conformations
are typical for heliangolides. The methyl group C14 is α, while the C-15 has a β-orientation. The α-methylene-γ-lactone istrans-fused at C6 and C7 with H6 β and H7 α. In compound2, the epoxide at C11–C13 has an α orientation. 相似文献
15.
The crystal structures of (i) CH3(C9H6O2)SO2C6H5 and (ii) CH3(C8H8O2)SO2?C6H5 have been determined by X-ray diffraction. (i) crystallizes in the monoclinic space groupP21/c with unit cell parametersa=8.814(1)Å,b=10.310(1)Å,c=15.841(4)Å, β=98.17(1)o, andZ=4, and (ii) crystallizes in the orthorhombic space groupP212121 with unit cell parametersa=6.206(1)Å,b=11.752(5)Å,c=19.865(3)Å, andZ=4. The pyran ring in both of them is in the distorted half-chair conformation with differeing degrees of distortion from the ideal. 相似文献
16.
Vladimir N. Nesterov David Wiedenfeld Svitlana V. Nesterova Lee M. Daniels 《Journal of chemical crystallography》2005,35(11):917-922
Synthesis and X-ray structural investigations have been carried out for the two title compounds C20H14N2O3 (4) and C23H14N2O3⋅C2H3N (5). Compound 4 crystallizes in the monoclinic space group P21/n, with a = 7.0542(5), b = 8.822(1), c = 24.833(2) ?, β = 94.30(4)∘, V = 1541.0(4) ?3, and Z = 4. Compound 5 crystallizes with an acetonitrile solvent molecule in the monoclinic space group P21/n, with a = 11.075(1), b = 7.854(1), c = 22.703(2) ?, β = 90.67(1)∘, V = 1974.5(3) ?3, and Z = 4. In both molecules, the 4H-pyran ring adopts a flattened-boat conformation. The naphthalene substituent occupies a pseudo-axial
position and the dihedral angle with the flat part of the pyran ring is equal to 94.6(3) in 4 and 76.8(3)∘ in 5. The mutual orientation of these fragments and the flatness of the heterocyclic rings lead to H⋅sH intramolecular steric interactions: H4A⋅sH18A 1.98 ? in 4 and 2.11 ? in 5. In the crystal of 4, intermolecular hydrogen bonds N–H⋅sO and C–H⋅sN link molecules into infinite tapes along the b axis. In the crystals of 5, intermolecular hydrogen bonds N–H⋅sO and C–H⋅sN link molecules into infinite layers parallel to the bc plane. In each case, the C–H⋅sN interaction can be considered to be a weak hydrogen bond. The acetonitrile molecules link via intermolecular weak C–H⋅sN hydrogen bonds to form infinite chains along the b axes. 相似文献
17.
The X-ray crystal structures of three halo(tetramethylethylenediamine)copper(I) complexes have been determined. (TMED)2Cu+CuCl
2
–
(I) crystallizes in monoclinic space groupP21/n with lattice constantsa=9.332(9),b=15.126(7),c=14.49(1) Å,=96.95(7)°. (TMEDCuBr)2 (II) crystallizes in monoclinic space groupP21/c with lattice constantsa=12.064(5),b=11.888(6),c=15.841(6) Å,=113.97(3)°. (TMED CuI)2 (III) crystallizes in monoclinic space groupP21/c with lattice constantsa=12.401(6),b=12.159(6),c=15.412(9) Å,=109.12(4)°. Compound (I) is a molecule exhibiting two discrete environments for copper(I). The cation is a pseudotetrahedral monomer and the anion a linear monomer. Both (II) and (III) are dimers with asymmetrically bridging bromine and iodine atoms, respectively. Distortions from tetrahedral geometry are observed about the copper atoms in (II) and (III). 相似文献
18.
The crystal structures of (1R,5R,8S)-8-[(2R,4R)-4-ethyl-3-(2,4,6- trimethyl-benzenesulfonyl)-oxazolidin-2-yl]-1-hydroxy-bicyclo[3.3.1]nonan-3-one (1), formic acid (1S,2R)-2-{2-[(2R,4R)-4-ethyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl]-cyclohexylidene}-1-trimethylsilanyl-ethyl ester (2), (2R,4R)-2-{(4S,5R,6S)-6-tertbutyl-2,2,4,5-tetramethyl-[1,3]dioxan-4-yl}-4-ethyl-3-(toluene-4-sulfonyl)-oxazolidine (3), (2S)-2-[(2R,4R,5R)-4-methyl-5-phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl]-3,4-dihydro-2H-naphthalen-1-one (4) and (1R)-1-[(2R,4R,5R)-4-methyl-5-phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl]-3,4-dihydro-1H-naphthalen-2-one (5) have been determined: (1) crystallizes in the orthorhombic space group P212121 with cell dimensions a = 11.120(1), b = 13.809(1), c = 14.676(1) Å, (2) crystallizes in the monoclinic space group P21 with cell dimensions a = 12.577(3), b = 9.589(1), c = 13.971(3) Å, = 95.77(1) °, (3) crystallizes in the monoclinic space group P21 with cell dimensions a = 7.990(4), b = 11.282(9), c = 14.473(4) Å, = 96.31(3)°, (4) crystallizes in the orthorhombic space group P212121 with cell dimensions a = 7.674(1), b = 14.647(1), c = 20.620(1) Å, (5) crystallizes in the monoclinic space group P21 with cell dimensions a = 7.890(2), b = 11.319(1), c = 13.493(3) Å, = 104.12(1)°. 相似文献
19.
Two new nickel(II)(cyclen) coordination polymers, {[Ni(cyclen)·(bipy)]·(ClO4)2}n (1) and [Ni(cyclen)]2·(squa)·(ClO4)2 (2) have been synthesized and characterized structurally, where cyclen is 1,4,7,10-tetraazadodecane. Compound 1 crystallizes in the monoclinic system, space group C2/c, with a = 10.5339(17) ?, b = 14.565(2) ?, c = 16.133(3) ?, β = 102.799(2)°, V = 2413.4(7) ?3. Compound 2 crystallizes in the orthorhombic system, space group P
nm
a with a = 25.722(3) ?, b = 11.1168(12) ?, c = 11.4580(13) ?, V = 3276.3(6) ?3. In both compounds, each NiII center is in a distorted octahedral coordinated environment with four Ncyclen atoms and two Npyridine atoms from 4,4′-bipyridine linker for 1 and two Oaqueou atoms from the coordinated water for 2, respectively. The complex 1 exhibits infinite zigzag 1D chains by linking of 4,4′-bipyridine coordinated. In complex 2, 2D sheet supramolecule generated through self-assembling by hydrogen bond. 相似文献
20.
Kusum Bania Rupam J. Sarma Anirban Karmakar Jubaraj B. Baruah 《Journal of chemical crystallography》2007,37(12):859-864
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.
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