(1R*,2S*)-N,N '-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate

被引：0
作者：
Akerman, Kate J. [1 ]
机构：
[1] Univ KwaZulu, Sch Chem & Phys, Private Bag X01, ZA-3209 Scottsville, South Africa
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷
基金：
新加坡国家研究基金会;
关键词：
data-to-parameter ratio = 15.5; mean ω(C-C) = 0.003 Å; R factor = 0.050; single-crystal X-ray study; T = 296 K; wR factor = 0.131;
D O I：
10.1107/S1600536812046193
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound, C16H20N4 center dot H2O, was synthesized from cis-1,2-diaminocyclohexane (a racemic mixture of the (1R,2S) and (1S,2R) enantiomers). The compound crystallized with two molecules (A and B) in the asymmetric unit with a single water solvent molecule per Schiff base molecule. Molecules A and B have similar conformations as illustrated by the least-squares-fit with an r.m.s. deviation of 0.242 angstrom. The molecules within the asymmetric unit are bridged by hydrogen bonds to the two water molecules, resulting in a heterotetramer. The water molecule acts as both a hydrogen-bond donor and acceptor. The pyrrole-imine units are not co-planar, making an angle of 73.9 (3)degrees and 76.9 (3)degrees in molecules A and B, respectively.
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页码：O3354 / +
页数：13
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