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一水合 -[4-(二甲基氨基)-亚苄基]呋喃-2-碳酰肼的晶体结构

Crystal structure of '-[4-(di-methyl-amino)-benzyl-idene]furan-2-carbohydrazide monohydrate.

作者信息

Sylla-Gueye Rokhaya, Thiam Ibrahima Elhadji, Orton James, Coles Simon, Gaye Mohamed

机构信息

Département de Chimie, Faculté des Sciences et Techniques, Université Cheik Anta Diop, Dakar, Senegal.

UK National Crystallography Service, School of Chemistry, Faculty of Engineering and Physical Sciences, University of Southampton, Southampton, UK.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Apr 9;76(Pt 5):660-663. doi: 10.1107/S205698902000465X. eCollection 2020 May 1.

DOI:10.1107/S205698902000465X
PMID:32431928
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7199266/
Abstract

The condensation of 2-furoic hydrazide and 4-dimethyl amino-benzaldehyde in ethanol yielded a yellow solid formulated as the title compound, CHNO·HO. The crystal packing is stabilized by inter-molecular O(water)-H⋯O,N(carbohydrazide) and N-H⋯O(water) hydrogen bonds, which form a two-dimensional network along the plane. Additional C-H⋯O inter-actions link the mol-ecules into a three-dimensional network. The dihedral angle between the mean planes of the benzene and the furan ring is 34.47 (6)°. The carbohydrazide moiety, , the C=N-N-C=O fragment and the benzene ring are almost coplanar, with an angle of 6.75 (9)° between their mean planes.

摘要

2-呋喃甲酰肼与4-二甲基氨基苯甲醛在乙醇中缩合得到一种黄色固体，其化学式为CHNO·HO。晶体堆积通过分子间的O(水)-H⋯O、N( carbohydrazide)和N-H⋯O(水)氢键得以稳定，这些氢键沿着平面形成二维网络。额外的C-H⋯O相互作用将分子连接成三维网络。苯环和呋喃环平均平面之间的二面角为34.47 (6)°。碳酰肼部分、C=N-N-C=O片段和苯环几乎共面，它们平均平面之间的夹角为6.75 (9)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/8a9d07e249d0/e-76-00660-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/2d21ea383bdc/e-76-00660-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/050242091918/e-76-00660-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/8a9d07e249d0/e-76-00660-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/2d21ea383bdc/e-76-00660-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/050242091918/e-76-00660-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee0a/7199266/8a9d07e249d0/e-76-00660-fig3.jpg

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