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1,3-双{()-[4-(二甲基氨基)-亚苄基]氨基}-丙-2-醇:链结构形成一个O-H⋯N氢键。 (注:原文括号处内容缺失)

1,3-Bis{()-[4-(di-methyl-amino)-benzyl-idene]amino}-propan-2-ol: chain structure formation an O-H⋯N hydrogen bond.

作者信息

Rivera Augusto, Miranda-Carvajal Ingrid, Ríos-Motta Jaime, Bolte Michael

机构信息

Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.

Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 May 5;73(Pt 6):813-816. doi: 10.1107/S2056989017006429. eCollection 2017 Jun 1.

DOI:10.1107/S2056989017006429
PMID:28638633
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5458298/
Abstract

The asymmetric unit of the title compound, CHNO, consists of two unique mol-ecules linked by an O-H⋯N hydrogen bond. The conformation of both C=N bonds is and the azomethine functional groups lie close to the plane of their associated benzene rings in each of the independent mol-ecules. The dihedral angles between the two benzene rings are 83.14 (4) and 75.45 (4)°. The plane of the one of the N(CH) units is twisted away from the benzene ring by 18.8 (2)°, indicating loss of conjugation between the lone electron pair and the benzene ring. In the crystal structure, O-H⋯N hydrogen bonds together with C-H⋯O hydrogen bonds link neighbouring supra-molecular dimers into a three-dimensional network.

摘要

标题化合物CHNO的不对称单元由通过O-H⋯N氢键相连的两个独特分子组成。两个C=N键的构象均为 ,且在每个独立分子中,偶氮甲碱官能团靠近其相关苯环的平面。两个苯环之间的二面角分别为83.14 (4)°和75.45 (4)°。其中一个N(CH)单元的平面相对于苯环扭转了18.8 (2)°,表明孤电子对与苯环之间的共轭作用减弱。在晶体结构中,O-H⋯N氢键以及C-H⋯O氢键将相邻的超分子二聚体连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/7ffd831dfee4/e-73-00813-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/1b23471c75ab/e-73-00813-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/10902ae771c0/e-73-00813-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/0baa41f3c7fa/e-73-00813-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/82274cb5ccd7/e-73-00813-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/7ffd831dfee4/e-73-00813-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/1b23471c75ab/e-73-00813-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/10902ae771c0/e-73-00813-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/0baa41f3c7fa/e-73-00813-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/82274cb5ccd7/e-73-00813-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44d4/5458298/7ffd831dfee4/e-73-00813-fig5.jpg

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