Crystal Structure of 2,4,9-Trimethylpyrido[3,2-c]coumarin

P. Kanwal, V. Gupta, D. I. Brahmbhatt, Ankit R. Kaneria
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引用次数: 2

Abstract

The title compound, 2,4,9-trimethylpyrido[3,2-c]coumarin, crystallizes in the triclinic space group P1 with the following unit-cell parameters: a = 9.4892(5), b = 10.4245(6), c = 7.7307(4)A, α = 94.556(3), β = 120.824(3), γ = 110.532(3)°, Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined by full-matrix least-squares procedures to a final R-value of 0.0411 for 1658 observed reflections. Molecules are linked into centrosymmetric dimers by means of paired C-H…O hydrogen bonds. The crystal structure is stabilized by a number of π-π stacking interactions.
2,4,9-三甲基吡啶[3,2-c]香豆素的晶体结构
标题化合物2,4,9-三甲基吡啶[3,2-c]香豆素在三斜空间群P1中结晶,其单位胞参数如下:a = 9.4892(5), b = 10.4245(6), c = 7.7307(4) a, α = 94.556(3), β = 120.824(3), γ = 110.532(3)°,Z = 2。利用单晶x射线衍射数据,通过直接方法求解晶体结构,并通过全矩阵最小二乘法对1658个观测反射的最终r值进行细化,最终r值为0.0411。分子通过配对的C-H…O氢键连接成中心对称的二聚体。晶体结构通过π-π堆叠相互作用得到稳定。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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