CRYSTAL-STRUCTURES OF BILE-SALTS - SODIUM TAUROCHOLATE

被引：27

作者：

CAMPANELLI, AR

DESANCTIS, SC

DARCHIVIO, AA

GIGLIO, E

SCARAMUZZA, L

机构：

[1] UNIV ROME LA SAPIENZA,DIPARTMENTO CHIM,P A MORO 5,I-00185 ROME,ITALY

[2] CNR,ROME,ITALY

来源：

JOURNAL OF INCLUSION PHENOMENA AND MOLECULAR RECOGNITION IN CHEMISTRY | 1991年 / 11卷 / 03期

关键词：

SODIUM TAUROCHOLATE; X-RAY CRYSTAL STRUCTURE; MICELLAR AGGREGATE MODEL;

D O I：

10.1007/BF01061037

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Crystals of sodium taurocholate (NaC26H44NO7S.2.5H2O) belonging to the triclinic space group P1 have unit cell parameters a = 12.731 (2), b = 16.104 (2), c = 7.628 (1) angstrom, alpha = 83.40 (1), beta = 101.20 (1), gamma = 105.35 (1)-degrees, and two molecules in the asymmetric unit. The refinement, carried out on 4424 observed reflections, gave R = 0.059 and R(w) = 0.066. The packing is characterized by bilayers, formed by antiparallel monolayers and with nonpolar outermost surfaces, held together by van der Waals interactions. Inside the bilayers there are channels, lined with the polar groups, and filled by sodium ions and water molecules. A structural unit has been identified that could provide a reasonable model for the micellar aggregates of this bile salt.

引用

页码：247 / 256

页数：10

共 21 条

[1] CONFORMATION OF NON-AROMATIC RING COMPOUNDS .25. GEOMETRY AND CONFORMATION OF RING D IN SOME STEROIDS FROM X-RAY STRUCTURE DETERMINATIONS [J].