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3 - [4 - (4 - 氟苯基)哌嗪 - 1 - 基甲基] - 5 - 甲基 - 1,3 - 苯并恶唑 - 2(3H) - 酮和3 - [4 - (2 - 氟苯基)哌嗪 - 1 - 基甲基] - 5 - 甲基 - 1,3 - 苯并恶唑 - 2(3H) - 酮

3-[4-(4-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one.

作者信息

Köysal Yavuz, Işik Samil, Köksal Meriç, Erdõgan Hakki, Gokhan Nesrin

机构信息

Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Kurupelit, 55139 Samsun, Turkey.

出版信息

Acta Crystallogr C. 2004 Apr;60(Pt 4):o232-4. doi: 10.1107/S0108270104003269. Epub 2004 Mar 11.

DOI:10.1107/S0108270104003269
PMID:15071220
Abstract

The title compounds, both C(19)H(20)FN(3)O(2), contain essentially planar benzoxazolinone ring systems, within which the C-N bond distances and angles do not differ significantly between the two compounds. In both cases, the piperazine ring adopts an almost perfect chair conformation and the benzoxazolinone ring system lies nearly perpendicular to it. The structures contain intermolecular C-H.O contacts, and the interactions between the benzoxazolinone and fluorophenylpiperazine portions of the molecules are segregated.

摘要

两种标题化合物均为C(19)H(20)FN(3)O(2),均含有基本呈平面状的苯并恶唑啉酮环系,在这两个化合物中,C-N键长和键角并无显著差异。在这两种情况下,哌嗪环几乎呈完美的椅式构象,且苯并恶唑啉酮环系几乎与其垂直。这些结构包含分子间C-H…O接触,且分子中苯并恶唑啉酮和氟苯基哌嗪部分之间的相互作用是分开的。

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