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2-{[(5-硝基-噻吩-2-基)亚甲基]氨基}-苯酚的晶体结构

Crystal structure of 2-{[(5-nitro-thio-phen-2-yl)methyl-idene]amino}-phenol.

作者信息

Koçak Figen, Tanak Hasan, Ağar Erbil, Doğan Onur Erman, Özdemir Namık

机构信息

Department of Physics, Faculty of Arts & Science, Amasya University, TR-05100 Amasya, Turkey.

Department of Chemistry, Faculty of Arts & Science, Ondokuz Mayıs University, 55139 Samsun, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 May 23;71(Pt 6):o418. doi: 10.1107/S2056989015009202. eCollection 2015 Jun 1.

DOI:10.1107/S2056989015009202
PMID:26090201
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4459297/
Abstract

The title compound, C11H8N2O3S, is roughly planar; the di-hedral angle between the planes of the thio-phene and benzene rings is 8.38 (10)°. An intra-molecular O-H⋯N hydrogen bond generates an S(5) ring motif. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of O-H⋯O hydrogen bonds with an R 2 (2)(22) graph-set motif. Aromatic π-π stacking inter-actions [centroid-centroid sep-ar-ations = 3.653 (3) and 3.852 (3) Å] link the dimers into a three-dimensional network.

摘要

标题化合物C₁₁H₈N₂O₃S大致呈平面状；噻吩环和苯环平面之间的二面角为8.38 (10)°。分子内的O—H⋯N氢键形成了一个S(5)环结构。在晶体中，分子通过成对的O—H⋯O氢键连接成中心对称的二聚体，具有R 2 (2)(22)图形集模式。芳香π-π堆积相互作用[质心-质心间距 = 3.653 (3) 和3.852 (3) Å]将二聚体连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/f81b6d128268/e-71-0o418-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/23b1e02641ff/e-71-0o418-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/4f82e3a20657/e-71-0o418-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/f81b6d128268/e-71-0o418-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/23b1e02641ff/e-71-0o418-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/4f82e3a20657/e-71-0o418-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/375f/4459297/f81b6d128268/e-71-0o418-fig3.jpg

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