5-(4-fluorophenyl)-1,8-dimethyl-2-(p-toluoylaminomethyl)-2,3-dihydro-1H-1,4-benzodiazepine monohydrate

被引:3
作者
Peeters, OM
Blaton, NM
DeRanter, CJ
机构
[1] Lab. V. Analyt. Chem. Medicinale F., Fac. Farmaceutische Wetenschappen, Katholieke Universiteit Leuven, B-3000 Leuven
关键词
D O I
10.1107/S0108270196011729
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The title compound, N-{[5-(4-fluorophenyl)-1,8-dimethyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}p-toluamide monohydrate, C26H26FN3O.H2O, a benzodiazepine derivative with kappa-opioid activity, crystallizes as a hydrate with two almost identical molecules in the asymmetric unit. The observed conformation, stabilized by two hydrogen bonds involving the H2O molecule, is common for the 2-(acylaminomethyl)benzodiazepines. Hydrogen bonds between H2O molecules and amidic O atoms link the non-equivalent molecules, with formation of endless chains in the a direction.
引用
收藏
页码:95 / 97
页数:3
相关论文
共 9 条
[1]   SIR92 - a program for automatic solution of crystal structures by direct methods [J].
ALTOMARE, A ;
CASCARANO, G ;
GIACOVAZZO, G ;
GUAGLIARDI, A ;
BURLA, MC ;
POLIDORI, G ;
CAMALLI, M .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1994, 27 :435-435
[2]   1,7-dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1H-1,4-benzodiazepin-4-ium chloride [J].
Blaton, NM ;
Peeters, OM ;
DeRanter, CJ .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1996, 52 :2793-2795
[3]   STRUCTURE OF TIFLUADOM HYDRATE [J].
CODDING, PW ;
ZEUGNER, H ;
FINNER, E .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1987, 43 :1394-1397
[4]  
MCARDLE P, 1994, J APPL CRYSTALLOGR, V27, P438
[5]   PARST - A SYSTEM OF FORTRAN ROUTINES FOR CALCULATING MOLECULAR-STRUCTURE PARAMETERS FROM RESULTS OF CRYSTAL-STRUCTURE ANALYSES [J].
NARDELLI, M .
COMPUTERS & CHEMISTRY, 1983, 7 (03) :95-98
[6]   STRUCTURES OF TIFLUADOM [5-(2-FLUOROPHENYL)-1-METHYL-2-(3-THENOYL-AMINOMETHYL)-2,3-DIHYDRO-1H-1,4-BENZODIAZEPINE] HYDROCHLORIDE, C22H21FN3OS+.CL-, AND OF(+)-TIFLUADOM PARA-TOLUENESULFONATE, C22H21FN3OS+.C7H7O3S-, AND THE ABSOLUTE-CONFIGURATION OF THE LATTER [J].
PETCHER, TJ ;
WIDMER, A ;
MAETZEL, U ;
ZEUGNER, H .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1985, 41 (JUN) :909-912
[7]  
SHELDRICK GM, 1993, SHELXL93 PROGRAM REF
[8]  
*SIEM, 1989, XEMP EMP ABS CORR PR
[9]  
*SIEM, 1994, USCANS US MAN VERS 2