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(-)-3,3'-二苯基-2,2'-[吡啶-2,6-二基双(羰基亚氨基)]二丙酸二甲酯

(-)-Dimethyl 3,3'-diphenyl-2,2'-[pyridine-2,6-diylbis(carbonyl-imino)]dipropanoate.

作者信息

Yin Shaohong, Cui Yu, Xia Guangming, Zhang Yanju, Sun Guoxin

机构信息

School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1713. doi: 10.1107/S1600536809023721.

Abstract

The title compound, C(27)H(27)N(3)O(6), a bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The pyridine ring is oriented at dihedral angles of 89.69 (3) and 62.95 (3)° with respect to the phenyl rings, while the dihedral angle between the phenyl rings is 60.76 (3)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains. One of the carbonyl O atoms and one of the meth-oxy CH(3) groups are disordered over two positions. The O atom was refined with occupancies of 0.69 (13) and 0.31 (13), while C and H atoms were refined with occupancies of 0.69 (8) and 0.31 (8).

摘要

标题化合物C(27)H(27)N(3)O(6)是一种双酰胺衍生物,也是一种手性氨基酸酯,其胺取代基为L-苯丙氨酸甲酯基团。吡啶环相对于苯环的二面角分别为89.69 (3)°和62.95 (3)°,而苯环之间的二面角为60.76 (3)°。在晶体结构中,分子间的N-H⋯O氢键将分子连接成链。其中一个羰基O原子和一个甲氧基CH(3)基团在两个位置上无序。O原子的占有率经精修为0.69 (13)和0.31 (13),而C和H原子的占有率经精修为0.69 (8)和0.31 (8)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9f0/2969420/d4c6b8b7eb94/e-65-o1713-fig1.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

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