Xiaochuan Li, Jing Li, A. Zhang
Sep 1, 2010
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Journal
Zeitschrift für Kristallographie - New Crystal Structures
Abstract
C24H24OS2, monoclinic, P121/c1 (no. 14), a = 17.971(8) Å, b = 14.910(7) Å, c = 7.964(4) Å, ) = 93.453(6)°, V = 2130.1 Å, Z = 4, Rgt(F) = 0.087, wRref(F) = 0.247, T = 291 K. Source of material 4-(3,4-bis(2,5-dimethylthiophen-3-yl)cyclopent-3-en-1-yl)benzaldehyde was synthesized by multi-step reaction according to our early published method [1]. Chemicals used for the synthesis were commercially available of AR grade, and were used as received without further purification. The colorless crystals of the title compound were obtained by slow evaporation of a hexane solution at room temperature. Experimental details The hydrogen atoms were placed geometrically and refined using a riding model with d(C—H) = 0.93 Å (aromatic), 0.96 Å (–CH3), 0.97 Å (–CH2–) or 0.98 Å (–CH–), Uiso(H) = 1.2 Ueq(C) for CH and CH2 groups or Uiso(H) = 1.5 Ueq(C) for CH3 groups. The disordered two thiophene rings account for the large residual values mainly, for which the photosensitive molecules are easy to generate closed form (hexatriene structure). The structure was checked by PLATON [2]. Additional (disordered) solvent molecules were not found.