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2 -(甲氧基羰基)苯胺磷酸二氢盐

2-(Methoxy-carbon-yl)anilinium dihydrogen phosphate.

作者信息

Shafiq Muhammad, Khan Islam Ullah, Arshad Muhammad Nadeem, Khan Muneeb Hayat, Simpson Jim

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1786. doi: 10.1107/S1600536809025252.

DOI:10.1107/S1600536809025252
PMID:21583492
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977506/
Abstract

The title compound, C(8)H(10)NO(2) (+)·H(2)PO(4) (-), is a derivative of the naturally occurring compound methyl-anthranilate. The asymmetric unit comprises the 2-(methoxy-carbon-yl)anilinium cation and the dihydrogen phosphate anion. In the cation, the dihedral angle between the benzene ring plane and that through the methyl ester substituent is 22.94 (9)°. In the crystal, adjacent cations and anions form dimers through N-H⋯O and O-H⋯O hydrogen bonds, respectively. Additional N-H⋯O and C-H⋯O contacts result in a network of cation and anion dimers stacked down the b axis.

摘要

标题化合物C(8)H(10)NO(2) (+)·H(2)PO(4) (-)是天然存在的化合物邻氨基苯甲酸甲酯的衍生物。不对称单元由2-(甲氧基羰基)苯胺阳离子和磷酸二氢根阴离子组成。在阳离子中,苯环平面与通过甲酯取代基的平面之间的二面角为22.94 (9)°。在晶体中,相邻的阳离子和阴离子分别通过N-H⋯O和O-H⋯O氢键形成二聚体。额外的N-H⋯O和C-H⋯O接触导致阳离子和阴离子二聚体的网络沿b轴堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/44c20b28dd0a/e-65-o1786-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/18071d44719f/e-65-o1786-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/b9b4f87405ff/e-65-o1786-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/44c20b28dd0a/e-65-o1786-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/18071d44719f/e-65-o1786-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/b9b4f87405ff/e-65-o1786-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15f7/2977506/44c20b28dd0a/e-65-o1786-fig3.jpg

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