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N-[2-(4-甲基-2-喹啉基)苯基]乙酰胺:一种Z = 4的P1结构。

N-[2-(4-Methyl-2-quinol-yl)phen-yl]acetamide: a P1 structure with Z = 4.

作者信息

Khan F Nawaz, Roopan S Mohana, Malathi N, Hathwar Venkatesha R, Akkurt Mehmet

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 17;66(Pt 8):o2043-4. doi: 10.1107/S1600536810027650.

Abstract

The title compound, C(18)H(16)N(2)O, crystallizes in the triclinic space group P1, with four independent mol-ecules in the asymmetric unit wherein two mol-ecules have an irregular -ac, -ac, +ap conformation (ap, antiperiplanar; ac, anticlinal), while the other mol-ecules exhibit a different, +ac, +ac, +ap conformation. The planar (r.m.s. deviation = 0.006 Å in each of the four molecules) quinoline ring systems of the four mol-ecules are oriented at dihedral angles of 32.8 (2), 33.4 (2), 31.7 (2) and 32.3 (2)° with respect to the benzene rings. Intra-molecular N-H⋯N inter-actions occur in all four independent mol-ecules. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, and are further consolidated by C-H⋯π and π-π stacking inter-actions [centroid-centroid distances = 3.728 (3), 3.722 (3), 3.758 (3) and 3.705 (3) Å].

摘要

标题化合物C(18)H(16)N(2)O以三斜晶系空间群P1结晶,不对称单元中有四个独立分子,其中两个分子具有不规则的 -ac、-ac、+ap构象(ap,反式共平面;ac,反错式),而其他分子呈现不同的 +ac、+ac、+ap构象。四个分子的平面喹啉环系统(每个分子的均方根偏差 = 0.006 Å)相对于苯环的二面角分别为32.8 (2)、33.4 (2)、31.7 (2) 和32.3 (2)°。在所有四个独立分子中均存在分子内N-H⋯N相互作用。晶体堆积通过分子间N-H⋯O和C-H⋯O氢键得以稳定,并通过C-H⋯π和π-π堆积相互作用[质心-质心距离 = 3.728 (3)、3.722 (3)、3.758 (3) 和3.705 (3) Å]进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bcd6/3007511/97652101b969/e-66-o2043-fig1.jpg

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