CRYSTAL AND MOLECULAR STRUCTURE OF CIS-1,3-CYCLOBUTANEDICARBOXYLIC ACID

被引：30

作者：

ADMAN, E

MARGULIS, TN

机构：

[1] Department of Chemistry, Brandeis University, Waltham

[2] Department of Chemistry, University of Massachusetts, Boston

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1969年 / 73卷 / 05期

关键词：

D O I：

10.1021/j100725a051

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The crystal structure of cis-1,3-cyclobutanedicarboxylic acid, C4H6(COOH)2, has been determined by three-dimensional X-ray analysis. Full-matrix least-squares refinement gives an R of 0.057 for 427 reflections measured by counter techniques. The crystals are monoclinic, space group P21/n, with a = 6.439 Å, b = 13.268 Å, c = 8.036 Å, β = 92.84°, and four molecules per cell; ρobsd = 1.36 and ρcalcd = 1.39 g/cm3. The cyclobutane ring is puckered with a dihedral angle of 149 ± 3° and an average C-C single bond length of 1.554 ± 0.01 Å. The molecules are connected by hydrogen bonds in infinite chains.

引用

页码：1480 / &

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