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N-甲基-2-(1,2,3,4-四氢萘-1-亚基)肼基硫代甲酰胺

N-Methyl-2-(1,2,3,4-tetra-hydro-naph-thalen-1-yl-idene)hydrazinecarbo-thio-amide.

作者信息

de Oliveira Adriano Bof, Feitosa Bárbara Regina Santos, Näther Christian, Jess Inke

机构信息

Departamento de Química, Universidade Federal de Sergipe, Av. Marechal Rondon s/n, Campus, 49100-000 São Cristóvão, SE, Brazil.

Institut für Anorganische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth Strasse 2, D-24118 Kiel, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 15;70(Pt 3):o301-2. doi: 10.1107/S1600536814003079. eCollection 2014 Mar 1.

Abstract

There are two independent mol-ecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent mol-ecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first mol-ecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N-N-C-N fragment make dihedral angles of 12.92 (14)° in the first independent mol-ecule and 7.60 (13)° in the second. In the crystal, mol-ecules are linked by weak N-H⋯S hydrogen bonds into chains along the a-axis direction. The crystal packing ressembles a herringbone arrangement.

摘要

标题化合物C₁₂H₁₅N₃S的不对称单元中有两个独立分子,两者在与氮相连的环中均有几个碳原子呈现无序状态(第一个独立分子中的占有率为0.75:0.25,第二个为0.50:0.50),且第一个分子中的甲基氢原子也无序(占有率为0.70:0.30)。在第一个独立分子中,苯环平面与N-N-C-N片段平面的二面角为12.92 (14)°,在第二个分子中为7.60 (13)°。在晶体中,分子通过弱N-H⋯S氢键沿a轴方向连接成链。晶体堆积类似于人字形排列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f1a9/3998428/5c56d502b85b/e-70-0o301-fig1.jpg

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