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苯甲酰胺-苦味酸(1/1)

Benzamide-picric acid (1/1).

作者信息

Sivaramkumar M S, Velmurugan R, Sekar M, Ramesh P, Ponnuswamy M N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1820. doi: 10.1107/S1600536810024232.

DOI:10.1107/S1600536810024232
PMID:21588027
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006951/
Abstract

In the title compound, C(7)H(7)NO·C(6)H(3)N(3)O(7), one of the nitro groups of the picric acid mol-ecule lies in the plane of the attached benzene ring [dihedral angle = 1.4 (1)°] while the other two are twisted away by 9.9 (1) and 30.3 (1)°. In the benzamide mol-ecule, the amide group is almost coplanar with the benzene ring [dihedral angle = 4.4 (1)°]. An intra-molecular O-H⋯O hydrogen bond generates an S6 ring motif. In the crystal, mol-ecules are linked into a ribbon-like structure along the b axis by O-H⋯O and N-H⋯O inter-molecular hydrogen bonds. In addition, C-H⋯O hydrogen bonds and short O⋯O contacts [2.828 (2) Å] are observed.

摘要

在标题化合物C₇H₇NO·C₆H₃N₃O₇中,苦味酸分子的一个硝基位于相连苯环的平面内[二面角 = 1.4 (1)°],而另外两个硝基则扭转了9.9 (1)°和30.3 (1)°。在苯甲酰胺分子中,酰胺基团几乎与苯环共面[二面角 = 4.4 (1)°]。分子内O—H⋯O氢键形成了一个S6环 motif。在晶体中,分子通过O—H⋯O和N—H⋯O分子间氢键沿b轴连接成带状结构。此外,还观察到C—H⋯O氢键和短的O⋯O接触[2.828 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d9a2/3006951/85bc5effa7fa/e-66-o1820-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d9a2/3006951/1c04be615a7e/e-66-o1820-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d9a2/3006951/85bc5effa7fa/e-66-o1820-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d9a2/3006951/1c04be615a7e/e-66-o1820-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d9a2/3006951/85bc5effa7fa/e-66-o1820-fig2.jpg

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