Neutron refinement of the crystal structure of partially exchanged taurine, (ND3+)(0.65)(NH3+)(0.35)(CH2)(2)SO3-

被引：12

作者：

Briant, CE ^{[1
]}

Jones, DW ^{[1
]}

机构：

[1] UNIV BRADFORD,BRADFORD BD7 1DP,W YORKSHIRE,ENGLAND

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 1997年 / 27卷 / 08期

关键词：

neutron-diffraction; hydrogen location; 2-aminoethylsulfonic acid; taurine; zwitterion; crystal structure;

D O I：

10.1007/BF02576588

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Refinement of neutron-diffraction data from a partially deuteriated single crystal of taurine, 2-aminoethylsulfonic acid, confirms the zwitterion structure, ND3+(CH2)(2)SO3-, at room temperature; the S-C-C-N torsion angle of the gauche configuration in the solid state is -69.4 degrees. Hydrogen positions have been located more precisely than in the earlier X-ray analysis to yield apparent bond lengths N-D/H = 1.02(1) Angstrom and C-H = 1.08(1) Angstrom.

引用

页码：481 / 483

页数：3

共 10 条

[1]

ARNDT UW, 1966, SINGLE CRYSTAL DIFFR, P98

[2]

CARRUTHERS JR, 1975, CRYSTALS USER MANUAL

[3]

GARRISONLAGRANG.G, 1977, J MOL STRUCT, V36, P275

[4]

GROTH P, 1910, CHEM KRYSTALLOGR, V3, P159