CRYSTAL-STRUCTURE OF BIS(BETAINE) HYDROCHLORIDE MONOHYDRATE

被引:49
作者
CHEN, XM [1 ]
MAK, TCW [1 ]
机构
[1] CHINESE UNIV HONG KONG,DEPT CHEM,SHA TIN,HONG KONG
关键词
D O I
10.1016/0022-2860(90)80497-8
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
Bis(betaine) hydrochloride monohydrate, 2Me3NCH2COO·HCI·H2O, crystallizes in space group Pnma (No. 62), with a=11.904(1), b=22.454(5), c=5.624(1) Å, and Z=4. The structure has been refined to RinF=0.046 for 863 observed (|Fo||>6σ|Fo|) Mo Kα data. the carboxylate groups of a pair of betaine molecules are bridged by a proton to form a centrosymmetric dimer featuring a very strong hydrogen bond of length 2.454(4) Å. The crystal structure comprises a packing of such [(Me3NCH2COO)2H]+ moieties and hydrogen-bonded (Cl-·H2O)∞ zigzag chains running parallel to the c axis. © 1990.
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页码:69 / 75
页数:7
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