1-甲基-3,5-二苯基-7-甲酰基-3,6,7,11b-四氢吡唑啉-[4',3':5,6]吡喃[3,4-c]喹啉-5a(5H)-羧酸甲酯的晶体结构。

IF 0.9
Eswar Kumar Nadendla, G Jagadeesan, D Kannan, Mannickam Bakthadoss, K Gunasekaran
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引用次数: 0

摘要

在标题化合物C35H31N3O5S中,哌啶环为包络构象,甲基C原子为皮瓣,吡喃环为沙发构象。这两个环的平均平面几乎是垂直的,形成了85.96(5)°的二面角。两个苯基环,一个与吡唑环相连,另一个与吡喃环相连,彼此倾斜65.41(11)°。它们与所附着环的平均平面分别倾斜12.59°和70.09°。存在分子内C-H⋯π相互作用,涉及toyl -ate甲基和附着在吡唑环上的苯基环。在晶体中,分子通过C-H⋯π相互作用连接,形成平行于(10-2)的带状。这些条带通过与反转相关的吡唑环的滑动平行π-π相互作用连接在一起[质心间距= 3.672 (2)Å],形成平行于(001)的板状结构。该结构的初步报告已经发表[Bakthadoss et al.(2014▶)]。欧元。j . Org。化学。页1505 - 1513)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intra-molecular C-H⋯π inter-action involving the tosyl-ate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π-π inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014 ▶). Eur. J. Org. Chem. pp. 1505-1513].

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来源期刊
自引率
33.30%
发文量
0
审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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