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3,6-二甲基-1-苯基-4-(2-噻吩基)-8-(2-噻吩基亚甲基)-5,6,7,8-四氢-1H-吡唑并[3,4-b][1,6]萘啶

3,6-Dimethyl-1-phenyl-4-(2-thien-yl)-8-(2-thienylmethyl-ene)-5,6,7,8-tetra-hydro-1H-pyrazolo[3,4-b][1,6]naphthyridine.

作者信息

Peng Juhua, Han Zhengguo, Ma Ning, Tu Shujiang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1109-10. doi: 10.1107/S1600536809014810.

Abstract

In the mol-ecule of the title compound, C(26)H(22)N(4)S(2), the pyrazole ring is oriented at a dihedral angle of 0.85 (3)° with respect to the adjacent naphthyridine ring, while the other ring of naphthyridine adopts an envelope conformation. The dihedral angle between phenyl and pyrazole rings is 87.65 (3)°. In the crystal structure, weak inter-molecular C-H⋯N inter-actions link the mol-ecules into chains. The π-π contacts between the naphthyridine rings and the naphthyridine and thio-phene rings [centroid-centroid distances = 3.766 (3) and 3.878 (3) Å] may further stabilize the structure. A weak C-H⋯π inter-action is also present.

摘要

在标题化合物C(26)H(22)N(4)S(2)的分子中,吡唑环相对于相邻的萘啶环以0.85 (3)°的二面角取向,而萘啶的另一个环呈信封构象。苯基和吡唑环之间的二面角为87.65 (3)°。在晶体结构中,弱的分子间C-H⋯N相互作用将分子连接成链。萘啶环与萘啶和噻吩环之间的π-π接触[质心-质心距离 = 3.766 (3) 和3.878 (3) Å]可能进一步稳定结构。还存在弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7b0f/2977787/424ba0e6911e/e-65-o1109-fig1.jpg

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