共查询到20条相似文献,搜索用时 31 毫秒
1.
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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H. Gallardo H. J. Müller T. R. Taylor W. Haase 《Molecular Crystals and Liquid Crystals》2013,570(2):293-296
Transition temperatures, transition enthalpies and X-ray results are reported for 4-(4-n-heptyloxybenzoyloxy)-benzylidene-4-n-alkoxyanilines, 4-(4-n-nonoxybenzoyloxy)-benzylidene-4-n-alkoxyanilines and their 3-methoxy-benzylidene substituted derivatives. 相似文献
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Kuleshova L. N. Averkiev B. B. Gusev D. V. Suponitskii K. Yu. Antipin M. Yu. 《Crystallography Reports》2004,49(5):798-806
Crystallography Reports - The molecular and crystal structures of three concomitant polymorphic modifications of N-(4-butoxyphenyl)-4-(4′-nitrophenyl)-2-thiazolamine are investigated by X-ray... 相似文献
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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
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The title compound (C22H19NOS) was synthesized, characterized and structure was determined by X-ray diffraction method. It crystallizes in the monoclinic space group P21/c with cell parameters a = 22.181(2) Å, b = 6.0760(4) Å, c = 13.349(3) Å, = 95.615(3)^, and {Z = 4}. The final residual factor is 0.0625 for 1724 reflections with I > 2(I). 4-thiazolidinone ring moiety shows twisted conformation. 相似文献
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Mesomorphic Properties of Di- (4 - Alkoxyphenyl) and Di- (4 - Alkanoyloxyphenyl) Tetrathiafulvalenes
A. Babeau Nguyen Huu Tinh H. Gasparoux C. Polycarpe E. Torreilles L. Giral 《Molecular Crystals and Liquid Crystals》2013,570(5-6):171-176
The polymorphism of the di- (4 - alkoxyphenyl) and di- (4 - alkanoyloxyphenyl) tetrathiafulvalenes (TTF) is investigated. In the dialkoxy series, the short chain derivative exhibits a smectic G phase and a nematic phase. The latter phase disappears in the long chain derivative. The dialkanoyloxy derivatives exhibit a smectic G phase (for short chains) and a smectic C phase (for long chains). A plot of the mesormorphic-isotropic transition temperatures against the number of carbon atoms of the substituent shows the usual odd-even effect. Some tetra (alkoxyphenyl) tetrathiafulvalenes are described, unfortunately they have no mesomorphic properties. 相似文献
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Andrzej Maślanskiewicz Tadeusz Glowiak Henryk Chojnacki Leszek Skrzypek Adam Niedbala 《Journal of chemical crystallography》1995,25(4):165-169
The crystal and molecular structures of two isomeric 3,4- and 4,3-chloro-(methylthio)quinolines have been determined. For 3-chloro-4-(methylthio)-quinoline (3-Cl–4-MeS–Q); triclinic, space group
,a=7.199(3),b=7.919(3),c=8.921(3) Å, =89.74(3), =74.29(3), =78.55(3)°. For 4-chloro-3-(methylthio)quinoline (4-Cl–3-MeS–Q): monoclinic, space group P21/n,a=12.860(4),b=5.424(2),c=13.434(4) Å, =90.84(3)°. The values of the Cl...S distance as well as those for the Cl–C–C(S) and (Cl)C–C–S angles indicate the attractive interaction between ortho-situated heteroatoms in isomer 4-Cl–3-MeS–Q contrary to the effects observed in the case of 3-Cl–4-MeS–Q. The conclusions were confirmed by calculations of atomic charges withab initio method 4-31G basis set, which show positively charged sulfur atom in 4-Cl–3-MeS–Q and negatively charged sulfur in 3-Cl–4-MeS–Q.Part XXX in the series of Azinyl Sulfides. 相似文献
10.
Synthesis and Crystal Structure of [2-(4-chlorobenzoyloxy)-5-methylphenyl]-(4-methylphenyl)methanone
S. Naveen T. D. Venu S. Shashikanth M. A. Sridhar J. Shashidhara Prasad 《Journal of chemical crystallography》2007,37(12):787-791
[2-(4-Chlorobenzoyloxy)-5-methylphenyl]-(4-methylphenyl)methanone was synthesized and characterized by spectroscopic and X-ray diffraction methods. The molecule crystallizes in the monoclinic space group P21/c with cell parameters a = 13.7530(19) Å, b = 10.0560(19) Å, c = 13.469(3) Å, β = 100.630(7)° and Z = 4. There is a large discrepancy between the carbonyl group bond lengths of ketone and the ester. The structure exhibits intermolecular hydrogen bonds of the type C–H···O. 相似文献
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Intramolecular hydrogen bonding in the solid state is reported for the title compound and its ethylene ketal. The title compound crystallizes in the triclinic space group,
with a = 9.590(3), b = 9.620(3), c = 9.844(2) Å, = 97.67(2), = 105.25(2), = 115.47(2), and Z=2. The ethylene ketal crystallizes in the monoclinic space group, P21/c, with a = 7.230(2), b = 22.639(3), c = 10.839(2) Å, = 101.47(2), and Z = 4. The intramolecular hydrogen bond length of 1.79 Å is the same for the ketone and ketal, but the O—H---O valence angle is 144° for the ketone and 165° for the ketal. 相似文献
12.
Dunru Zhu Xiaolei Zhu Li Xu Sichang Shao S. Shanmuga Sundara Raj Hoong-Kun Fun Xiaozeng You 《Journal of chemical crystallography》2000,30(6):429-432
The 4-(p-methoxyphenyl)-3,5-bis(4-pyridyl)-1,2,4-triazole has been synthesized and its crystal structure has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n, with a = 12.5832(6) Å, b = 7.0512(5) Å, c = 18.4669(12) Å, = 96.826(1)°, and Dcalc = 1.345 g cm–1 for Z = 4. In the structure, two pyridyl rings, phenyl ring, and triazole ring do not share a common plane. The most favored orientation of the pyridyl rings in the crystal is that their planes are inclined toward opposite directions with respect to the triazole ring. 相似文献
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Crystallography Reports - The title compound, 1-(4-(5,6-dihydropyridazin-1(4H)-yl)phenyl)-N-methylmethanesulfonamide (C12H17N3O2S), was isolated as an impurity during the preparation of sumatriptan... 相似文献
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S. Shanmuga Sundara Raj M. N. Ponnuswamy G. Shanmugam M. Kandaswamy 《Journal of chemical crystallography》1994,24(1):83-87
MMP: C17H26N2O3,M
r
=306.40, monoclinic, space groupP21/c,a=10.927(2),b=10.777(2),c=14.197(2) , =94.04(2)°,V=1667.7(5) 3,D
cal=1.22 Mgm–3,Z=4,F(000)=664, =5.93 cm–1,T=293K. FinalR=0.049 andwR=0.063 for 2724 observed reflections. MBrP; C16H23N2O3Br,M
r
=371.27, monoclinic, space groupP21/c,a=10.955(1),b=10.785(1),c=14.213(1) , =94.54(2)°,V=1674.0(4) 3,D
cal=1.48 Mgm–3,Z=4,F(000)=768, =32.35 cm–1,T=293K. FinalR=0.055 andwR=0.069 for 2886 observed reflections. MMP and MBrP are isostructural and in both the molecules the morpholino rings assume a chair conformation.DCB Contribution No. 824. 相似文献
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Crystallography Reports - (E)-4-(2-(4-Cyanobenzylidene)hydrazinyl)benzonitrile dimethyl sulfoxide hemisolvate, C15H10N4 ⋅ 0.5C2H6OS is synthesized following a green protocol and its crystal... 相似文献
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The synthesis and spectral identification of 1-(4-fluorobenzyl)-2-(4-cyanophenyl)-1H-benzimidazole-5-carbonitrile (1) have been reported. IR, 1H NMR, and EI mass spectral analysis were used for its spectral identification. The structure of 1 was confirmed by X-ray crystallographic studies. Intramolecular hydrogen bond occurs between the imidazole nitrogen and one of hydrogen of the florobenzene. The crystal packing is governed by C–HN intermolecular hydrogen bonds. The molecular structure observed in crystal and the optimised geometries at the HF level by doing semi-empirical and ab initio calculations were compared. 相似文献
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S. Shanmuga Sundara Raj D. Velmurugan M. N. Ponnuswamy G. Shanmugam M. Kandaswamy 《Journal of chemical crystallography》1994,24(3):187-191
MPN: C18H27N3O3,M
r=333.43, monoclinic,P21/n. a=6.207(2),b=21.893(6),c=13.693(3) Å; =96.12(2)o,V=1850.1(8) Å3.,Z=4,D
cal=1.20 mg/m3,F(000)=720, (CuK)=1.5418 Å, andT=298K.R=0.042 andwR=0.049 for 1675 observed reflections. MMN: C16H23N3O5,M
r=337.38, triclinic,P,a=9.642(1) Å,b=10.123(5) Å,c=9.341(2) Å, =93.00(3)o, =90.96(1)o, =110.46(1)o, V=852.5(5) Å3,D
cal=1.31 mg m–3.F(000)=360,Z=2, (CuK)=1.5418 Å,R=0.054 andwR=0.074 for 2804 observed reflections. The piperidine and morpholino rings assumechair conformation and orient each other at an angle of 44.8(1)o (MPN) and 47.1(1)o (MMN), respectively.Contribution No. 827 from DCB. 相似文献
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Zhu-Ping Xiao Zhi-Yun Peng Zhu-Xiang Liu Li-Hua Chen Hai-Liang Zhu 《Journal of chemical crystallography》2011,41(5):649-653