Suppr超能文献

4-[6,8-二溴-2-(2-氯-5-硝基苯基)-1,2,3,4-四氢喹唑啉-3-基]环己醇

4-[6,8-Dibromo-2-(2-chloro-5-nitro-phen-yl)-1,2,3,4-tetra-hydro-quinazolin-3-yl]cyclo-hexa-nol.

作者信息

Wang Zhi-Gang, Xia Zong-Lin, Wang Rong, Wang Ming-Li

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 28;66(Pt 5):o1205-6. doi: 10.1107/S1600536810015023.

Abstract

The title compound, C(20)H(20)Br(2)ClN(3)O(3), was synthesized by the condensation reaction of 2-chloro-5-nitro-benzaldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)cyclo-hexa-nol in a methanol solution. There are two independent mol-ecules in the asymmetric unit and in one mol-ecule the atoms of the cyclo-hexane ring are disordered over two sets of sites with refined occupancies of 0.657 (12) and 0.343 (12). The dihedral angle between the two benzene rings is 89.5 (2)° in one mol-ecule and 82.9 (2)° in the other. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [01].

摘要

标题化合物C(20)H(20)Br(2)ClN(3)O(3)是由2-氯-5-硝基苯甲醛与4-(2-氨基-3,5-二溴苄基氨基)环己醇在甲醇溶液中通过缩合反应合成的。不对称单元中有两个独立分子,在一个分子中,环己烷环的原子在两组位置上无序排列,精修占有率分别为0.657 (12)和0.343 (12)。两个苯环之间的二面角在一个分子中为89.5 (2)°,在另一个分子中为82.9 (2)°。在晶体结构中,分子间的N-H⋯O和O-H⋯O氢键将分子连接成沿[01]方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36c5/2979269/364bd3fe7e9f/e-66-o1205-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验