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苄基 N-(1-{N'-[(E)-2-氯苄叉基]肼羰基}-2-羟基乙基)氨基甲酸酯

Benzyl N-(1-{N'-[(E)-2-chloro-benzyl-idene]hydrazinecarbon-yl}-2-hy-droxy-eth-yl)carbamate.

作者信息

de Souza Marcus V N, Pinheiro Alessandra C, Tiekink Edward R T, Wardell Solange M S V, Wardell James L

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1868-9. doi: 10.1107/S1600536811024895. Epub 2011 Jun 30.

DOI:10.1107/S1600536811024895
PMID:21837231
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3151956/
Abstract

The mol-ecule of the title compound, C(18)H(18)ClN(3)O(4), is twisted about the chiral C atom with the dihedral angle between the two amide residues being 87.8 (5)°, but, overall, it can be described as curved, with the benzene rings lying on the same side of the mol-ecule [dihedral angle = 62.8 (4)°]. The conformation about the imine bond [1.294 (7) Å] is E. In the crystal, a two-dimensional array in the ab plane is mediated by O-H⋯O and N-H⋯O hydrogen bonds as well as C-H⋯Cl inter-actions. The layers stack along the c-axis direction, being connected by C-H⋯.π contacts.

摘要

标题化合物C(18)H(18)ClN(3)O(4)的分子围绕手性碳原子扭曲,两个酰胺残基之间的二面角为87.8 (5)°,但总体上可描述为弯曲的,苯环位于分子的同一侧[二面角 = 62.8 (4)°]。亚胺键[1.294 (7) Å]的构象为E型。在晶体中,ab平面内的二维阵列由O-H⋯O和N-H⋯O氢键以及C-H⋯Cl相互作用介导。这些层沿着c轴方向堆叠,通过C-H⋯π接触相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/313b68b292ff/e-67-o1868-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/67b06540341c/e-67-o1868-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/43bf8ab76da6/e-67-o1868-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/313b68b292ff/e-67-o1868-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/67b06540341c/e-67-o1868-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/43bf8ab76da6/e-67-o1868-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3726/3151956/313b68b292ff/e-67-o1868-fig3.jpg

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