Suppr超能文献

(2,4-二羟基-6-甲氧基苯基)(3,5-二羟基苯基)甲酮一水合物

(2,4-Dihy-droxy-6-meth-oxy-phen-yl)(3,5-dihy-droxy-phen-yl)methanone monohydrate.

作者信息

Nargis Jamila, Wong Keng-Chong, Khairuddin Melati, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2717-8. doi: 10.1107/S1600536811037913. Epub 2011 Sep 30.

Abstract

The title benzophenone compound, C(14)H(12)O(6)·H(2)O, was isolated from the bark of Garcinia hombroniana Pierre (Guttiferae). The mol-ecule is twisted, the dihedral angle between the two benzene rings being 59.13 (7)°. The meth-oxy group is approximately coplanar with the attached benzene ring, with a C-O-C-C torsion angle of 1.91 (18)°. The water mol-ecule is disordered over two positions in a 0.555 (19):0.445 (19) ratio. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds. These inter-actions link the mol-ecules into sheets parallel to the ac plane. The sheets are stacked along the b axis by π-π inter-actions, with centroid-centroid distances of 3.6219 (7) Å. A weak O-H⋯π inter-action was also noted.

摘要

标题化合物二苯甲酮,化学式为C(14)H(12)O(6)·H(2)O,是从山竹子(藤黄科)的树皮中分离得到的。分子呈扭曲状,两个苯环之间的二面角为59.13 (7)°。甲氧基与相连的苯环大致共面,C-O-C-C扭转角为1.91 (18)°。水分子在两个位置上无序分布,比例为0.555 (19):0.445 (19)。分子内的O-H⋯O氢键形成了一个S(6)环 motif。晶体结构通过分子间的O-H⋯O氢键得以稳定。这些相互作用将分子连接成平行于ac平面的片层。片层沿着b轴通过π-π相互作用堆叠,质心间距为3.6219 (7) Å。还观察到了一种弱的O-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e28d/3201278/5ab36265c342/e-67-o2717-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