2-氨基-7,7-二甲基-5-氧代-4-[3-(三氟甲基)苯基]-1,4,5,6,7,8-六氢喹啉-3-甲腈
2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro-meth-yl)phen-yl]-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbonitrile.
作者信息
Kant Rajni, Gupta Vivek K, Kapoor Kamini, Patil D R, Mulik A G, Deshmukh Madhukar B
机构信息
X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o105. doi: 10.1107/S1600536812050684. Epub 2012 Dec 19.
Abstract
In the title mol-ecule, C19H18F3N3O, the dihydro-pyridine and cyclo-hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro-pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro-methyl group were refined as disordered over two sets of sites in a 0.840 (3):0.160 (3) ratio. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds link mol-ecules into a two-dimensional network parallel to (100).
摘要
在标题分子C₁₉H₁₈F₃N₃O中，二氢吡啶环和环己烯环均呈沙发式构象。二氢吡啶环的五个基本平面原子[最大偏差 = 0.039 (2) Å]与苯环形成的二面角为88.19 (8)°。三氟甲基的氟原子在两组位置上呈无序分布，比例为0.840 (3):0.160 (3)。在晶体中，N—H⋯O和N—H⋯N氢键将分子连接成平行于(100)的二维网络。
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