Suppr超能文献

(1-金刚烷基)(4-氨基苯基)甲醇

(1-Adamant-yl)(4-amino-phen-yl)methanol.

作者信息

Rouchal Michal, Nečas Marek, Vícha Robert

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 10;65(Pt 5):o1018. doi: 10.1107/S1600536809012987.

Abstract

In the racemic crystal of the title compound, C(17)H(23)NO, enanti-omers of the two crystallographically independent mol-ecules are linked into face-to-face RSdimers via inter-molecular O-H⋯N hydrogen bonds and π-π inter-actions with centroid-centroid distances of 3.7610 (2) Å. The mol-ecules adopt slightly different conformations and contain an adamantane cage consisting of three fused cyclo-hexane rings in almost ideal chair conformations, with C-C-C angles varying within the range 107.2 (4)-111.4 (4)°. In the hydrogen-bonded pair, the benzene rings are almost coplanar, the dihedral angle between them being 1.29 (13)°. The mol-ecular packing in the crystal is stabilized by additional inter-molecular N-H⋯O hydrogen bonds.

摘要

在标题化合物C(17)H(23)NO的外消旋晶体中,两个晶体学独立分子的对映体通过分子间O-H⋯N氢键和质心间距为3.7610 (2) Å的π-π相互作用连接成面对面的RS二聚体。分子具有略有不同的构象,包含一个由三个几乎呈理想椅式构象的稠合环己烷环组成的金刚烷笼,C-C-C角在107.2 (4)-111.4 (4)°范围内变化。在氢键对中,苯环几乎共面,它们之间的二面角为1.29 (13)°。晶体中的分子堆积通过额外的分子间N-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4d40/2977704/0b4ddca8500b/e-65-o1018-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