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4-(2,3-Dichloro­phen­yl)-1-[3-oxo-3-(2-thien­yl)prop­yl]piperazin-1-ium chloride

✍ Scribed by Yang, Xiong-Wen ;Li, Ai-Jun ;Zhu, Kong-Ming ;Zhou, Xue-Qin ;Liu, Dong-Zhi

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
198 KB
Volume
61
Category
Article
ISSN
1600-5368

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1-(4-Methyl­phen­yl)-3-(2-thien­yl)prop-
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The title compound, C 14 H 12 OS, crystallizes with the two independent molecules in the asymmetric unit. All bond lengths and angles in both molecules show normal values. No intermolecular hydrogen bonds or short contacts are found in the crystal structure.

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Single-crystal X-ray study T = 100 K Mean (C-C) = 0.001 A Disorder in main residue R factor = 0.029 wR factor = 0.075 Data-to-parameter ratio = 40.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The thiophene ring of the title compound, C 13 H 9 NO 3 S, is disordered. An approximate 180 rotation of the thiophene ring with respect to the central C-C single bond is observed in the molecule.

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In the title molecule, C 17 H 14 Cl 2 O 3 , the methoxy groups are almost coplanar with the attached benzene ring. The molecules are linked via intermolecular C-HÁ Á ÁO interactions into wave-like chains along the b axis.

[4-(2,3-Dichloro­phen­yl)piperazin-1-yl]
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In the title compound, C 24 H 22 Cl 2 N 2 O 2 S, synthesized from 2-(2-methoxyphenylsulfanyl)benzoyl chloride and 1-(2,3dichlorophenyl)piperazine, the piperazine ring adopts a normal chair conformation.