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4-（4-甲氧基-苯基）-3-甲基-1,6-二氧杂-2,8-二氮杂-s-茚并[1,2-c]吡唑-5（7H）-酮

4-(4-Methoxy-phen-yl)-3-methyl-1,6-di-oxa-2,8-diaza-s-indacen-5(7H)-one.

作者信息

Zhang Li-Xin, Zhang Xiao-Hong, Yan Shu

机构信息

College of Chemistry and Chemical Engineering, Xuzhou Normal University, Xuzhou 221116, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 18;65(Pt 5):o1054. doi: 10.1107/S1600536809013373.

DOI:10.1107/S1600536809013373
PMID:21583871
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977735/
Abstract

In the mol-ecule of the title compound, C(16)H(12)N(2)O(4), the pyridine ring is oriented at the same dihedral angle of 2.92 (3)° with respect to the furan and isoxazole rings, while the dihedral angle between furan and isoxazole rings is 1.34 (3)°. The dihedral angle between the benzene and pyridine rings is 53.23 (3)°. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into chains. Weak π-π contacts between isoxazole and benzene rings [centroid-centroid distance = 3.969 (3) Å] may further stabilize the structure.

摘要

在标题化合物C(16)H(12)N(2)O(4)的分子中，吡啶环相对于呋喃环和异恶唑环以相同的2.92 (3)°二面角取向，而呋喃环和异恶唑环之间的二面角为1.34 (3)°。苯环和吡啶环之间的二面角为53.23 (3)°。在晶体结构中，分子间的C-H⋯O相互作用将分子连接成链。异恶唑环和苯环之间的弱π-π接触[质心-质心距离 = 3.969 (3) Å]可能进一步稳定该结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26c2/2977735/098e41cde6f9/e-65-o1054-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26c2/2977735/5a9a1eaf82cb/e-65-o1054-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26c2/2977735/098e41cde6f9/e-65-o1054-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26c2/2977735/5a9a1eaf82cb/e-65-o1054-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26c2/2977735/098e41cde6f9/e-65-o1054-fig2.jpg

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