3-[(3S)-3-乙基-1-甲基氮杂环庚烷-3-基]苯基 N-(4-氟苯基)氨基甲酸酯
3-[(3S)-3-Ethyl-1-methyl-azepan-3-yl]phenyl N-(4-fluoro-phen-yl)carbamate.
作者信息
Sun Jian, Xie Qiong, Qiu Zhui-Bai
机构信息
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 201203, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1822. doi: 10.1107/S1600536810024396.
The asymmetric unit of the title compound, C(22)H(27)FN(2)O(2), a (-)-S-meptazinol derivative, contains two mol-ecules. The azepane ring adopts a similar twist chair form in both mol-ecules, while the dihedral angles between the two benzene rings are 88.17 (14) and 89.93 (14)° in the two mol-ecules. The absolute configuration of the mol-ecule was determined from the synthetic starting material. The crystal structure is stabilized by classical inter-molecular N-H⋯O hydrogen bonds.
标题化合物C(22)H(27)FN(2)O(2)，一种(-)-S-美普他酚衍生物，其不对称单元包含两个分子。在两个分子中，氮杂环庚烷环均采用类似的扭船式构象，而两个苯环之间的二面角在两个分子中分别为88.17 (14)°和89.93 (14)°。分子的绝对构型由合成起始原料确定。晶体结构通过经典的分子间N-H⋯O氢键得以稳定。
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