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1.
Jerry P. Jasinski John M. Jasinski Daniel J. Crosby 《Journal of chemical crystallography》2003,33(5-6):365-374
The crystal structures of the three fluorene related molecules, (I) 2-(9,9-dipropylfluorene-2-yl)-9,9-dipropylfluorene, [Exalite 384, C38H42], (II) 2-(1,1-dimethylpropyl)-7-{4-[(1,1-dimethylpropyl)-9,9-diethylfluoren-2-yl] phenyl}-9,9-diethylfluorene, [Exalite 404, C50 H58], and (III) 2-(4-ethylphenyl)-7-[7-(ethylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene, [Exalite 416, C54H58], have been determined. Structural details reveal a novel new bonding arrangement at the C2 atoms of symmetry-related fluorene moieties in all three molecules producing a linear type array with an inversion center connecting adjacent asymmetric units within each molecule. Exalite 384 is monoclinic, space group P21/c with a = 9.002(2) Å, b = 16.275(4) Å, c = 10.525(1) Å, = 103.05(1), and V = 1502.1(5) Å3 with Z = 4, for d
calc = 1.103 g/cm3. Exalite 404 is triclinic, space group P1 with a = 10.383(1) Å, b = 13.404(2) Å, c = 7.7007(9) Å, = 105.296(9), = 104.23(1), = 73.707(9), and V = 974.9(2) Å3 with Z = 2, for d
calc = 1.141. Exalite 416 is monoclinic, space group P21/c with a = 15.99(10) Å, b = 11.178(8) Å, c = 23.766(4) Å, = 104.21(4), and V = 4117(4) Å3 with Z = 4, for d
calc = 1.141 g/cm3. 相似文献
2.
E. Kendi S. Sara M. Yarim M. Ertan M. Lge B. Krebs 《Crystal Research and Technology》1997,32(6):857-863
The crystal and molecular structures of the title compounds have been determined by x-ray structure analysis. The compounds (I) and (II) crystallize in space groups P212121 and 12/a respectively. The structures were solved by direct methods and refined to R = 0.058 and R = 0.046. The saturated pyrimidine-2-one ring in both structures deviates from the planarity. There are two intermolecular hydrogen bonds in (I) and (II). The configuration at C4 in (I) is S. 相似文献
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The paper reports the refractive index and density data of N-(p-propoxybenzylidene)p-pentylaniline and N-(p-butoxybenzylidene)p-pentylaniline in the nematic and liquid phases. The orientational order parameters for these two compounds are discussed. 相似文献
5.
S. T. Malinovskii M. Z. Krimer E. P. Styngach Yu. M. Chumakov 《Crystallography Reports》2000,45(2):248-250
The crystal structure of the title compound is determined by X-ray diffraction studies. The structure is solved by the direct method. The experimental data are obtained on a DAR-UMB diffractometer by the θ-θ/2θ scan technique using MoK α radiation. The crystal is monoclinic, a = 17.913(3) Å, b = 17.239(3) Å, c = 5.501(5) Å, γ = 74.4(3)°, space group P21/a, Z = 4 for C17H22N4O, and ρcalcd = 1.211 g/cm3. The molecule consists of the phenyl and triazole rings and the dimethylamino, carbonyl, and isopropyl groups attached to the rings. The dihedral angle between the rings is 67.4°. The carbonyl oxygen atom and the triazole ring are in the trans position relative to each other. The N-C-C-O torsion angle is 172.8°. The molecule is in the Z isomeric form. 相似文献
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Ajay Pal Singh Pannu Maninder Singh Hundal 《Journal of chemical crystallography》2011,41(10):1447-1450
Abstract
The Schiff base C10H13N3O2S is monoclinic, having unit cell parameters a = 9.788(1) ?, b = 9.615(1) ?, c = 12.605(1) ?, β = 108.41(1)° and V = 1125.56(2) ?3 and belongs to P21/n space group. The molecule is almost planar. The two hydroxyl groups present on the phenyl ring are involved in intermolecular H-bonding, which results in the stacking of molecules in the anti-parallel fashion leading an interesting network of channels. Besides this C–H⋯π and π–π (edge to edge) interactions appear to provide stability to the crystal lattice. 相似文献8.
Antonio Luiz Braga Oscar E.D. Rodrigues Daniel J. Emmerich Claudio C. Silveira Manfredo Hörner Ezequiel M. Vazquez-Lopez 《Journal of chemical crystallography》1999,29(6):677-680
The reaction between 1-phenylsulphenyl-2-phenylethyne and p-toluenesulfonic acid in methylene chloride gives (Z)-1-(phenylsulphenyl)-2-phenylethenyl p-toluenesulfonate (1) in good yields. This reaction is both a regio- and a stereospecific cis addition, confirmed by X-ray crystal structure analysis of the title compound. 1 crystallizes in the monoclinic space group P21/n with the lattice parameters a = 10.556(3), b = 9.730(3), c = 19.687(3) Å, = 105.05(2)°, V = 1952.7(8) Å3, and Z = 4. The results of elemental analysis, IR and NMR spectroscopy are included. 相似文献
9.
Sharma Devinder K. Subbulakshmi K. N. Narayana B. Sarojini B. K. Anthal Sumati Kant R. 《Crystallography Reports》2017,62(7):1148-1151
Crystallography Reports - 2-(4-Chlorophenyl)-3-(phenylamino)-5-(thiophen-2-ylmethylidene)-3,5-dihydro-4H-imidazol-4-one, C20H14N3OSCl was synthesized and its crystal structure was determined by... 相似文献
10.
Seik Weng Ng Abdul Hamid Othman Sri Nurestri Abdul Malek 《Journal of chemical crystallography》1994,24(5):331-335
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione crystallizes in the triclinic space group
(a=5.4233(5),b=13.910(1),c=17.036(1) Å, =68.311(6), =80.854(7), =78.760(8)°) as two independent enolic tautomers in which the hydroxyl and phenolic protons are hydrogen bonded to the ketonic oxygen atom. The structure was refined toR=0.039 for 2085I3(I) reflections. 1-(1,3-Benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-1,3-propanedione, which belongs to the triclinic
space group (a=7.3990(7),b=8.1239(5),c=14.004(1) Å, =86.673(6). =88.574(7), =64.885(7)°) also exists in the enolic form. The structure was refined toR=0.040 for 1564I3(I) reflections. 相似文献
11.
The crystal and molecular structure of bis(tetramethylammonium)di(-(1)-2-thiollyl)iron(II), C8H44B20FeN2S2, has been determined from three-dimensional X-ray data collected by counter techniques. The material crystallizes in the orthorhombic system: space groupIbam, z=4, a=15·585(5), b=12·324(4), and c=14·806(6) Å. The B10H10S2– moiety is an icosahedron with the sulphur atom and four boron atoms forming that part of the cage which is within bonding distance of the iron. The sulphur atom and one boron atom are disordered. The structure was solved by standard techniques and the least squares refinement, using 969 independent reflexions for whichF
0
2
3(F
0
2), converged to a conventionalR factor (onF) of 4·2%.No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission of Plenum Publishing Company Limited.National Lending Library Supplementary Publication No. 60063 contains 2 pages of structure tables on 1 microfiche. 相似文献
12.
Charis R. Theocharis William Jones Majid Motevalli Michael B. Hursthouse 《Journal of chemical crystallography》1982,12(4):377-389
The crystal structures of the title compounds have been determined as part of an investigation into the factors which may influence the solid-state reactivity of benzylidene cyclopentanones. Thep-methyl derivative, which is photoactive in the crystalline state, in monoclinic:P21/c,a=18.381(2),b=11.209(2),c=8.285(2) Å,=94.46(12)°, andz=4. The chloro derivative, which is photostable, is also monoclinic:P21/c,a=17.522(4),b=7.906(2),c=11.888(2) Å,=91.19(14)°, andz=4. The structures were solved and developed via the heavy-atom method and refined by least-squares to finalR values of 0.062 and 0.061, respectively, using 1902 and 2356 observed reflections measured using an automatic diffractometer. The conformations of the two molecules in their crystal structures are significantly different and lead to dissimilar packing arrangements, which clearly account for the different photochemical behaviors. 相似文献
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Structure of 2-(1-phenylimidiazolidin-2-ylidene)- malononitrile and 2-(hexahydropyrimidinyl-2-ylidene)- malononitrile 总被引:1,自引:0,他引:1
Yin-Xiang Lu Hui Zhou Peng Guo Lan Jin Wei Xu 《Journal of chemical crystallography》2006,36(10):691-695
The crystal structure of 2-(1-phenylimidazolidin-2-ylidene)-malononitrile, I, and 2-(hexahydropyrimidin-2-ylidene)-malononitrile, II, were determined with crystal data (I: Monoclinic, P21/n, a=8.116(3) ?, b=7.650(3) ?, c=17.399(7) ?, β=93.065(6)°, R
all=0.0980; II: Monoclinic, P21/n, a=9.169(2) ?, b=8.103(2) ?, c=10.337(3) ?, β=99.853(4)°, R
all=0.0877). N−H···N hydrogen bonds were responsible for the formation of centrosymmetric dimers of I and one-dimensional zigzag molecular chains of II. 相似文献
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Weimin Qin Fei Cao Zhenjiang Li Hua Zhou Honggui Wan Ping Wei Yuhu Shi Pingkai Ouyang 《Journal of chemical crystallography》2006,36(1):61-65
The three-dimensional molecular and crystal structures of a pair of enantiopure mirror complexes of Ni (II) to chiral Schiff bases of (R)- and (S)-serine with (S)- and (R)-2-N-(N′-benzylprolyl)-aminobenzophenone (BPB), denoted as (S,R)-BPB-Ser-Ni and (R,S)-BPB-Ser-Ni, respectively, have been determined by X-ray diffraction. The complexes crystallize in the orthorhombic space group P2
1
2
1
2
1
with unit cell parameters: a = 10.050(2) Å, b = 10.100(2) Å, c = 26.514(5) Å, V = 2691.3(9) Å3, and Z = 4 for (S,R)-BPB-Ser-Ni; and a = 9.878(2) Å, b = 10.130(2) Å, c = 26.304(5) Å, V = 2632.1(9) Å3, and Z = 4 for (R,S)-BPB-Ser-Ni. The Ni atom is square-planar-coordinated to N(1), N(2), O(4), and N(3) of the Schiff base with minor distortion. The hydroxymethyl group on the serine moiety is axial to the coordination plane and parallel to the neighboring phenyl group. 相似文献
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Osvaldo Cox Yong J. Li Yan Gao Wigberto J. Hernández 《Journal of chemical crystallography》1993,23(10):825-828
The title compound C20H16N2S is crystallized in the monoclinic space groupP21/c with cell parametersa=10.663(4),b=17.585(9),c=9.418(5)Å,=115.23°(4),V=1598(3)Å3,Z=4. The structure was refined by full-matrix least-squares methods using X-ray data set collected at room temperature. A finalR
F
=0.033 andR
w
=0.048 for 2225 unique reflections withI> 3(I) and 272 variables was obtained. The X-ray crystallographic study establishes theZ stereochemistry of the title compound. 相似文献
19.
The crystal structures of two new-adrenergic antagonists, derivatives of propranolol containing 2-methylalanine fragment are described in this paper. The space groups and unit-cell parameters are: compound1 (C17H21NO4): monoclinic, space groupP21/n,a=5.787(1),b=18.703(4),c=23.526(5)Å,=96.49(2)°; compound2 (C17H22N2O3): triclinic, space groupP¯1,a=8.321(1),b=10.121(1),c=10.368(1)Å,=109.49(1)°,=90.49(1)°, =103.48(1)°. The structures were solved by direct methods and refined with full matrix least-squares techniques toR indices of 0.055 and 0.049, respectively. The molecules of compound1 exist in the crystal as dual ions. The molecules of compound2 are compact and their external chain is twisted in a characteristic way (similar to that found in peptides). 相似文献