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2-(3-氧代-1,3-二氢异苯并呋喃-1-基氨基)苯甲酸

2-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)benzoic acid.

作者信息

Odabaşoğlu Mustafa, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 29;64(Pt 4):o752-3. doi: 10.1107/S160053680800754X.

DOI:10.1107/S160053680800754X
PMID:21202142
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960995/
Abstract

In the mol-ecule of the title compound, C(15)H(11)NO(4), the essentially planar phthalide group is oriented at a dihedral angle of 56.78 (5)° with respect to the substituted aromatic ring. An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, which adopts a nearly flattened-boat conformation. In the crystal structure, inter-molecular C-H⋯O, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, generating centrosymmetric R(2) (2)(8) and R(2) (2)(11) ring motifs and forming a three-dimensional network.

摘要

在标题化合物C(15)H(11)NO(4)的分子中,基本呈平面状的邻苯二甲酰基相对于取代的芳香环以56.78 (5)°的二面角取向。分子内的N-H⋯O氢键导致形成一个非平面的六元环,该六元环呈近乎扁平的船式构象。在晶体结构中,分子间的C-H⋯O、O-H⋯O和N-H⋯O氢键连接分子,生成中心对称的R(2) (2)(8)和R(2) (2)(11)环基序,并形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c91d/2960995/ac67fcea15fe/e-64-0o752-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c91d/2960995/1ed9238266d6/e-64-0o752-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c91d/2960995/ac67fcea15fe/e-64-0o752-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c91d/2960995/1ed9238266d6/e-64-0o752-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c91d/2960995/ac67fcea15fe/e-64-0o752-fig2.jpg

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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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