CRYSTAL AND MOLECULAR-STRUCTURE OF 3-CARBOXY-1-(CARBOXYMETHYL)PYRIDINIUM HYDROXIDE INNER SALT, C5H4(COO)NCH2COOH

被引：16

作者：

CHEN, XM ^{[1
]}

MAK, TCW ^{[1
]}

机构：

[1] CHINESE UNIV HONG KONG,DEPT CHEM,SHA TIN,HONG KONG

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1991年 / 249卷 / 2-4期

关键词：

D O I：

10.1016/0022-2860(91)85061-7

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：

A new betaine derivative, 3-carboxy-1-(carboxymethyl)pyridinium hydroxide inner salt, C5H4(COO)NCH2COOH (I), crystallizes in space group P2(1)2(1)2 (No. 18) with a = 9.659(2), b = 16.071(2), c = 4.9028(4) angstrom and Z = 4. The structure has been refined the R(F) = 0.042 for 871 observed (\F(o)\ > 6-sigma\F(o)\) MoK-alpha data. In I the acidic proton residing on the carboxymethyl group forms a very strong donor hydrogen bond of length 2.449(3) angstrom with the carboxylate group of an adjacent molecule, giving rise to a polymeric zigzag chain in the direction of the b axis.

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页码：135 / 140

页数：6

相关论文

共 17 条

[1] CRYSTAL-STRUCTURE OF SODIUM HYDROGEN OXYDIACETATE AND POTASSIUM HYDROGEN OXYDIACETATE [J].

ALBERTSS.J ;

GRENTHE, I ;

HERBERTS.H .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1973, 29 (SEP15) :1855-1860

[2] CRYSTAL-STRUCTURE OF RUBIDIUM HYDROGEN OXYDIACETATE - COMPARISON OF CRYSTALLOGRAPHICALLY INDEPENDENT OXYDIACETATE IONS [J].

ALBERTSSON, J ;

GRENTHE, I ;

HERBERTS.H .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1973, 29 (DEC15) :2839-2844

[3] CRYSTAL-STRUCTURE OF 2-CARBOXY-N,N,N-TRIMETHYLETHANAMINIUM BROMIDE MONOHYDRATE [J].

CHEN, XM ;

MAK, TCW .

JOURNAL OF MOLECULAR STRUCTURE, 1991, 245 (3-4) :301-306

[4] CRYSTAL-STRUCTURE OF BIS(BETAINE) HYDROCHLORIDE MONOHYDRATE [J].

CHEN, XM ;

MAK, TCW .

JOURNAL OF MOLECULAR STRUCTURE, 1990, 240 :69-75

[5]

CHEN XM, 1990, J MOL STRUCT, V221, P256

[6] PROFILE ANALYSIS IN SINGLE CRYSTAL DIFFRACTOMETRY [J].

DIAMOND, R .

ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1969, A 25 :43-&

[7] VERY STRONG HYDROGEN-BONDING [J].

EMSLEY, J .

CHEMICAL SOCIETY REVIEWS, 1980, 9 (01) :91-124

[8] SOLID STATE STRUCTURE AND CHEMISTRY OF CHOLINE HALIDES AND THEIR ANALOGUES - REDETERMINATION OF BETAINE HYDROCHLORIDE STRUCTURE, [(CH3)3NCH2COOH]+CL- [J].

FISCHER, MS ;

TEMPLETON, DH ;

ZALKIN, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1970, B 26 (OCT15) :1392-+

[9]

HUANG WY, 1990, J MOL STRUCT, V222, P479, DOI 10.1016/0022-2860(90)85054-M

[10]

IBERS JA, 1973, INT TABLES XRAY CRYS, V4, P55