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()'-[1-(4-氨基-苯基)亚乙基]-2-羟基-5-碘-苯甲酰肼甲醇单溶剂合物的晶体结构

Crystal structure of ()'-[1-(4-amino-phen-yl)ethyl-idene]-2-hy-droxy-5-iodo-benzohydrazide methanol monosolvate.

作者信息

Nguyen Tien Cong, Le Thi Thu Huong, Nguyen Van Thin, Vu Quoc Trung, Vu Quoc Manh, Pham Chien Thang, Van Meervelt Luc

机构信息

Faculty of Chemistry, Ho Chi Minh City University of Education, 280 An Duong Vuong Street, District No. 5, Ho Chi Minh City, Vietnam.

School of Natural Sciences Education, Vinh University, 182 Le Duan St., Vinh City, Vietnam.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jun 8;74(Pt 7):910-914. doi: 10.1107/S2056989018008204. eCollection 2018 Jul 1.

DOI:10.1107/S2056989018008204
PMID:30002884
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6038649/
Abstract

In the title compound, CHINO·CHOH, two aromatic rings are linked by an -substituted hydrazide function. The dihedral angle between the aromatic rings is 10.53 (8)°. The stereochemistry about the imine function is . The methanol mol-ecule forms an O-H⋯O hydrogen bond to the hydrazide O atom. In the crystal, chains of mol-ecules running along the -axis direction are formed by O-H⋯O hydrogen bonds. Adjacent chains are linked through N-H⋯O hydrogen bonds and π-π stacking inter-actions. The inter-molecular inter-actions in the crystal packing were investigated using Hirshfeld surface analysis, which indicated that the most significant contacts are H⋯H (38.2%), followed by C⋯H/H⋯C (20.6%), O⋯H/H⋯O (11.1%) and I⋯H/H⋯I (9.7%).

摘要

在标题化合物CHINO·CHOH中,两个芳香环通过一个α-取代的酰肼官能团相连。芳香环之间的二面角为10.53 (8)°。亚胺官能团的立体化学情况为 。甲醇分子与酰肼的O原子形成O—H⋯O氢键。在晶体中,沿a轴方向的分子链通过O—H⋯O氢键形成。相邻的链通过N—H⋯O氢键和π-π堆积相互作用相连。使用 Hirshfeld 表面分析研究了晶体堆积中的分子间相互作用,结果表明最显著的接触是H⋯H(38.2%),其次是C⋯H/H⋯C(20.6%)、O⋯H/H⋯O(11.1%)和I⋯H/H⋯I(9.7%)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/307faf1d5290/e-74-00910-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/14efa2685f47/e-74-00910-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/21841be64076/e-74-00910-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/1d0aed7bb52b/e-74-00910-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/2f3423a8fae5/e-74-00910-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/dd4a0ff30449/e-74-00910-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/f01941795fbd/e-74-00910-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/bba920cbd8a2/e-74-00910-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/307faf1d5290/e-74-00910-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/14efa2685f47/e-74-00910-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/21841be64076/e-74-00910-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/1d0aed7bb52b/e-74-00910-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/2f3423a8fae5/e-74-00910-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/dd4a0ff30449/e-74-00910-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/f01941795fbd/e-74-00910-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/bba920cbd8a2/e-74-00910-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccca/6038649/307faf1d5290/e-74-00910-fig8.jpg

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