Crystal structure of 3,3,4,4,5,5-hexafluoro-l,2-bis{5-[2-(l,3-dithiocyclopentyl)]- 2-methy1-3-thienyl}-cyclopent-l-ene, C21H18F6S6
نویسندگان
چکیده
منابع مشابه
3,3,4,4,5,5-Hexafluoro-1,2-bis(5-formyl-2-methylsulfanyl-3-thienyl)cyclopent-1-ene
In the crystal structure of the title diaryl-ethyl-ene compound, C(17)H(10)F(6)O(2)S(4), the two 3-thienyl substituents are aligned at 44.9 (1) and 40.2 (1)° with respect to the -C-C=C-C- fragment of the central cyclo-pentenyl ring. The five-membered cyclo-pentenyl ring adopts an envelope conformation. The flap atom of this ring and the two F atoms bonded to it are disordered over two positions...
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A new nonlinear optical organic compound, namely, L-histidinium 2-nitrobenzoate (abbreviated as LH2NB (I); ([C(6)H(10)N(3)O(2)](+) [C(7)H(4)NO(4)](-))), was synthesized. The molecular structure of LH2NB (I) was elucidated using single crystal X-ray diffraction technique. The second harmonic generation (SHG) efficiency of this compound is about two times that of the standard potassium dihydrogen...
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1-Phenyl-3-(4-nitrophenyl)-5-(2-thienyl)-2-pyrazoline was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. UV-Vis spectra and fluorescence spectra were measured. Density functional theory calculations on the structure of the title compound were performed at the B3LYP/6-311G** level of theory. NPA atomic charge distributions indicate that, although th...
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The title compound, C18H20O4, was synthesized via the ruthenium-catalyzed alkene methathesis dimerization of eugenol. The whole mol-ecule is generated by inversion symmetry; the center of inversion being located at the mid-point of the trans C=C bond. The phenol ring is inclined to the mean plane of the central C-C=C-C unit (r.m.s. deviation = 0.014 Å) by 68.83 (16)°. In the crystal, mol-ecules...
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The crystal structure of the title compound, C7H4BrNO, has been determined, revealing a partial mol-ecular packing disorder such that a 180° rotation of the mol-ecule about the phenol C-O bond results in disorder of the bromine and nitrile groups. The disorder has been parameterized as a disorder of only the bromine and nitrile substituents on a unique phenol ring. An intra-molecular O-H⋯Br con...
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ژورنال
عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures
سال: 2004
ISSN: 2197-4578,1433-7266
DOI: 10.1524/ncrs.2004.219.14.505