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[(2-{[3',6'-双(乙氨基)-2',7'-二甲基-3-氧代螺[1H-异吲哚-1,9'-9H-呫吨]-2-基]乙氨基甲基}苯酚

[(2-{[3',6'-Bis(ethyl-amino)-2',7'-dimethyl-3-oxospiro-[1H-isoindole-1,9'-9H-xanthen]-2-yl}eth-yl)amino-meth-yl]phenol.

作者信息

Zhang Li-Zhu, Peng Xiao-Jun, Gao Shang, Fan Jiang-Li

机构信息

State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 9;64(Pt 2):o403. doi: 10.1107/S1600536807068742.

Abstract

The title compound, C(35)H(38)N(4)O(3), was prepared as a spiro-lactam ring formation of rhodamine dye for comparison with a ring-opened form. The xanthene ring system is approximately planar. The dihedral angles formed by the spiro-lactam and phenol rings with the xanthene ring system are 85.7 and 109.4°, respectively. Each of the mol-ecules in the crystal structure contains one intra-molecular O-H⋯N hydrogen bond, and they form inter-molecular N-H⋯O hydrogen-bonded chains along the [100] direction. Weak inter-molecular C-H⋯O hydrogen-bonding contacts connect the infinite chains via crystallographic inversion centres to form a two-dimensional network.

摘要

标题化合物C(35)H(38)N(4)O(3)是通过罗丹明染料的螺内酰胺环形成而制备的,用于与开环形式进行比较。呫吨环系近似平面。螺内酰胺环和酚环与呫吨环系形成的二面角分别为85.7°和109.4°。晶体结构中的每个分子都包含一个分子内O-H⋯N氢键,它们沿[100]方向形成分子间N-H⋯O氢键链。弱分子间C-H⋯O氢键接触通过晶体学反演中心连接无限链,形成二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d833/2960358/353fa3f9741a/e-64-0o403-fig1.jpg

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