DL-HOMOPROLINE TETRAHYDRATE

被引:27
作者
BHATTACHARJEE, SK [1 ]
CHACKO, KK [1 ]
机构
[1] UNIV MADRAS, DEPT CRYSTALLOG & BIOPHYS, MADRAS 600025, INDIA
关键词
D O I
10.1107/S0567740879003617
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Crystals of the title compound C6H11NO2.cntdot.4H2O, FW = 153.2, are monoclinic, P21/c, a = 13.404 (7), b = 6.510 (4), c = 12.962 (8) .ANG., .beta. = 108.94 (2).degree., Z = 4, Dm (by flotation) = 1.23, Dx = 1.222 Mg m-3, F(000) = 440, Cu K.alpha. radiation (.lambda. = 1.54178 .ANG., .mu. = 0.96 mm-1). The structure was refined to R = 0.079 for 1695 counter reflections. The molecule exists as a zwitterion. The piperidine ring has a chair conformation with the carboxyl group equatorial. There are 4 water molecules/asymmetric unit, which almost surround the amino acid. Two of the water molecules are coordinated to the homoproline by H- bounds while the other 2 are H- bounded to each other.
引用
收藏
页码:396 / 398
页数:3
相关论文
共 13 条
[1]  
[Anonymous], CRYST STRUCT COMMUN
[2]   POTENTIAL FUNCTIONS AND CONFORMATIONS IN CYCLOALKANES [J].
BIXON, M ;
LIFSON, S .
TETRAHEDRON, 1967, 23 (02) :769-&
[3]   X-RAY CRYSTALLOGRAPHIC AND PROTON MAGNETIC-RESONANCE SPECTROSCOPIC INVESTIGATIONS OF NIPECOTIC ACID, A POTENT INHIBITOR OF GAMMA-AMINOBUTYRIC ACID (GABA) UPTAKE [J].
BREHM, L ;
KROGSGAARDLARSEN, P ;
JOHNSTON, GAR ;
SCHAUMBURG, K .
ACTA CHEMICA SCANDINAVICA SERIES B-ORGANIC CHEMISTRY AND BIOCHEMISTRY, 1976, 30 (06) :542-548
[4]   CRYSTAL AND MOLECULAR-STRUCTURE OF DL-PARA-NITROPHENYLALANINE HYDROCHLORIDE [J].
CHACKO, KK ;
SWAMINATHAN, S ;
PARTHASARATHY, S ;
NATARAJAN, S .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1978, 34 (APR) :1208-1212
[5]   CRYSTAL AND MOLECULAR-STRUCTURE OF HEXAHYDROPYRIDINE (PIPERIDINE) HYDROCHLORIDE [J].
DATTAGUPTA, JK ;
SAHA, NN .
JOURNAL OF CRYSTAL AND MOLECULAR STRUCTURE, 1975, 5 (03) :177-189
[6]  
GANTZEL PK, 1961, UCLALS1 U CAL PROGR
[7]   AN APPLICATION OF A NEW PHASE DETERMINATION PROCEDURE TO STRUCTURE OF CYCLO(HEXAGLYCYL) HEMIHYDRATE [J].
KARLE, IL ;
KARLE, J .
ACTA CRYSTALLOGRAPHICA, 1963, 16 (10) :969-&
[8]  
Marsh R E, 1967, Adv Protein Chem, V22, P235, DOI 10.1016/S0065-3233(08)60042-X
[9]  
SHIONO R, 1968, BLOCK DIAGONAL LEAST
[10]  
STOUT GH, 1968, XRAY STRUCTURE DETER, P457