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2-{[2-甲基-3-(2-甲基苯基)-4-氧代-3,4-二氢喹唑啉-8-基]氧基}乙腈

2-{[2-Methyl-3-(2-methyl-phen-yl)-4-oxo-3,4-dihydro-quinazolin-8-yl]-oxy}acetonitrile.

作者信息

El-Azab Adel S, Abdel-Aziz Alaa A-M, Al-Omar Mohamed A, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2105-6. doi: 10.1107/S1600536812026165. Epub 2012 Jun 16.

Abstract

In the title compound, C(18)H(15)N(3)O(2), the fused ring system is almost planar [the dihedral angle between the six-membered rings is 1.81 (6)°]. The 2-tolyl ring is approximately orthogonal to this plane [dihedral angle = 83.03 (7)°] as is the acetonitrile group [C-O-C-C torsion angle = 79.24 (14)°] which is also syn to the methyl substituent of the tolyl group. In the crystal, supra-molecular layers are formed in the bc plane mediated by C-H⋯O, C-H⋯N and C-H⋯π inter-actions. The tolyl group is disordered over two positions in a 0.852 (3):0.148 (3) ratio.

摘要

在标题化合物C₁₈H₁₅N₃O₂中,稠环体系几乎是平面的[六元环之间的二面角为1.81 (6)°]。2-甲苯基环与该平面近似正交[二面角 = 83.03 (7)°],乙腈基团也是如此[C-O-C-C扭转角 = 79.24 (14)°],且与甲苯基的甲基取代基呈顺式。在晶体中,通过C-H⋯O、C-H⋯N和C-H⋯π相互作用在bc平面形成超分子层。甲苯基在两个位置上无序,比例为0.852 (3):0.148 (3)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0258/3393918/d62166a4b0d2/e-68-o2105-fig1.jpg

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