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5-(4-氯苯基)-1-甲基-3-苯基-3,6,8,9-四氢-吡唑并[3,4-b]硫代吡喃并[4,3-d]吡啶

5-(4-Chloro-phen-yl)-1-methyl-3-phenyl-3,6,8,9-tetra-hydro-pyrazolo-[3,4-b]thio-pyrano[4,3-d]pyridine.

作者信息

Jia Runhong, Peng Juhua

机构信息

Lianyungang Teacher's College, Lianyungang 222006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2421-2. doi: 10.1107/S1600536811033514. Epub 2011 Aug 27.

Abstract

The title compound, C(22)H(18)ClN(3)S, was synthesized by the reaction of 4-chloro-benzaldehyde, tetra-hydro-thio-pyran-4-one and 3-methyl-1-phenyl-1H-pyrazol-5-amine in acetic acid without a catalyst. The pyridine and pyrazole rings are almost coplanar, the dihedral angle between their mean planes being 2.50 (1)°. The thio-pyran ring exhibits an envelope conformation. The crystal packing is stabilized by inter-molecular C-H⋯Cl hydrogen bonds and by C-H⋯π and π-π inter-actions [centroid-centroid distances of 3.825 (2) Å between pyridine rings and 3.557 (2) Å between pyrazole and pyridine rings.

摘要

标题化合物C(22)H(18)ClN(3)S是通过4-氯苯甲醛、四氢硫代吡喃-4-酮和3-甲基-1-苯基-1H-吡唑-5-胺在无催化剂的乙酸中反应合成的。吡啶环和吡唑环几乎共面,它们平均平面之间的二面角为2.50 (1)°。硫代吡喃环呈信封式构象。晶体堆积通过分子间C-H⋯Cl氢键以及C-H⋯π和π-π相互作用得以稳定[吡啶环之间的质心-质心距离为3.825 (2) Å,吡唑环与吡啶环之间的质心-质心距离为3.557 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/065b/3200927/aae1725781ce/e-67-o2421-fig1.jpg

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