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2-(6-氨基-5-氰基-3,4-二甲基-2H,4H-吡喃并[2,3-c]吡唑-4-基)乙酸乙酯

Ethyl 2-(6-amino-5-cyano-3,4-dimethyl-2H,4H-pyrano[2,3-c]pyrazol-4-yl)acetate.

作者信息

Kannan M, Kumaravel Kandhasamy, Vasuki Gnanasambandam, Krishna R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 30;66(Pt 5):o1242. doi: 10.1107/S1600536810015540.

DOI:10.1107/S1600536810015540
PMID:21579261
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979188/
Abstract

In he title compound, C(13)H(16)N(4)O(3), the pyrazole ring is planar (r.m.s. deviation = 0.054 Å). The pyran ring is not planar; the mean plane makes a dihedral angle of 1.9 (1)° with the pyrazole ring. In the crystal structure, inter-molecular N-H⋯N and N-H⋯O inter-actions lead to a linear chain motif.

摘要

在标题化合物C(13)H(16)N(4)O(3)中，吡唑环是平面的（均方根偏差 = 0.054 Å）。吡喃环不是平面的；平均平面与吡唑环形成1.9 (1)°的二面角。在晶体结构中，分子间的N-H⋯N和N-H⋯O相互作用导致形成线性链状结构。

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