Crystal structure of terephthalaldehyde

被引：8

作者：

Britton, D ^{[1
]}

机构：

[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 1998年 / 28卷 / 08期

关键词：

terephthalaldehyde; CH hydrogen bonds; packing; pseudo-symmetry;

D O I：

10.1023/A:1022456808681

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Terephthalaldehyde forms monoclinic crystals, space group P2(1)/a, a = 12.698(6), b = 3.845(2), c = 14.764(3) Angstrom, beta = 116.53(3)degrees, Z = 4, V = 645(1) Angstrom(3), and Dx = 1.381(2) g cm(-3). There are two independent molecules, each located at a center of symmetry and approximately related to each other by pseudo-symmetry. In both molecules the rings are planar within experimental error. In one molecule the CHO groups are twisted out of the plane of the ring by 1.3(1)degrees, in the other by 0.6(1)degrees. Weak C-H ... O hydrogen bonds occur at both independent aldehyde hydrogen atoms.

引用

页码：601 / 604

页数：4

共 11 条

[1] THE ROLE PLAYED BY C-H...O AND C-H...N INTERACTIONS IN DETERMINING MOLECULAR PACKING AND CONFORMATION [J].