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2,3-二甲基-6-硝基喹喔啉

2,3-Dimethyl-6-nitro-quinoxaline.

作者信息

Ghalib Raza Murad, Hashim Rokiah, Mehdi Sayed Hasan, Goh Jia Hao, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1830-1. doi: 10.1107/S1600536810024463.

Abstract

The asymmetric unit of the title quinoxaline compound, C(10)H(9)N(3)O(2), contains two crystallographically independent mol-ecules (A and B). The quinoxaline ring systems are essentially planar, with maximum deviations of 0.006 (1) and 0.017 (1) Å, respectively, for mol-ecules A and B. In mol-ecule A, the dihedral angle formed between the quinoxaline ring system and nitro group is 10.94 (3)° [6.31 (13)° for mol-ecule B]. In the crystal, mol-ecules are linked into chains propagating along [001]: one forms zigzag chains linked by C-H⋯O hydrogen bonds, whilst the other forms ladder-like chains by way of C-H⋯N and C-H⋯O hydrogen bonds. The packing is further consolidated by weak π-π inter-actions [range of centroid-centroid distances = 3.5895 (7)-3.6324 (7) Å].

摘要

标题喹喔啉化合物C(10)H(9)N(3)O(2)的不对称单元包含两个晶体学独立分子(A和B)。喹喔啉环系统基本呈平面状,分子A和B的最大偏差分别为0.006 (1) Å和0.017 (1) Å。在分子A中,喹喔啉环系统与硝基之间形成的二面角为10.94 (3)°[分子B为6.31 (13)°]。在晶体中,分子沿[001]方向连接成链:一种通过C-H⋯O氢键形成锯齿状链,另一种通过C-H⋯N和C-H⋯O氢键形成阶梯状链。通过弱π-π相互作用[质心-质心距离范围 = 3.5895 (7)-3.6324 (7) Å]进一步巩固了堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f1bb/3006956/c9d8fcfd8fb3/e-66-o1830-fig1.jpg

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