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2,7,7-三甲基-5-氧代-4-苯基-1,4,5,6,7,8-六氢喹啉-3-羧酸乙酯

Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

作者信息

Kurbanova Malahat M, Huseynov Elnur Z, Gurbanov Atash V, Maharramov Abel M, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2233. doi: 10.1107/S1600536812028371. Epub 2012 Jun 27.

Abstract

In the title compound, C(21)H(25)NO(3), the hydro-pyridine ring that constitutes a part of the hexa-hydro-quinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088 Å) by 0.454 (3) Å. The phenyl ring is aligned at 85.5 (1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N-H⋯O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along [100]. The ethyl group is disordered over two positions in a 0.609 (6):0.391 (6) ratio.

摘要

在标题化合物C₂₁H₂₅NO₃中,构成六氢喹啉稠环体系一部分的氢化吡啶环呈沙发构象;次甲基C原子偏离由其余五个非H原子定义的最小二乘平面(均方根偏差 = 0.088 Å)0.454 (3) Å。苯环相对于该平均平面的夹角为85.5 (1)°。在晶体中,相邻分子通过N—H⋯O氢键相连,涉及氨基和稠环体系的羰基O原子,形成沿[100]方向延伸的链。乙基在两个位置上无序,比例为0.609 (6):0.391 (6)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0947/3394024/e737dce18ad9/e-68-o2233-fig1.jpg

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