CRYSTAL-STRUCTURE OF 4-HYDROXY-4(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZO-4-YL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE

被引:2
作者
RAMM, M
BISCHOFF, C
机构
[1] INST KRISTALLOG & MINERAL,D-14195 BERLIN,GERMANY
[2] INST ANGEW CHEM EV,D-12484 BERLIN,GERMANY
来源
ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 1994年 / 209卷 / 05期
关键词
CRYSTAL STRUCTURE; PYRAZOLE; PYRAZOLINE-OXIDATION; PYRAZOLINONE-OXIDATION;
D O I
10.1524/zkri.1994.209.5.427
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
C8H10N4O3, M = 210.18, triclinic space group P1BAR, a = 10.193(1), b = 12.401(1), c = 8.061(1) angstrom, alpha = 97.80(1), beta = 98.28(1), gamma = 107.89(1)degrees, V = 941.9(2) angstrom3, Z = 4, D(x) = 1.581 g cm-3, lambda(MoK(alpha) = 0.71073 angstrom, mu = 1.2 cm-1, F(000) = 384. The crystal structure was determined by direct methods and refined by least-squares procedure to a discrepancy factor R = 0.035. The two molecules of the asymmetric unit are tautomeric forms characterized by an ketamine-hydroxyimine tautomerism.
引用
收藏
页码:427 / 429
页数:3
相关论文
共 6 条
[1]   OXIDATION OF PYRAZOLINONES [J].
BISCHOFF, C ;
RAMM, M ;
SCHRODER, E ;
JANCKE, H .
JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG, 1994, 336 (01) :70-72
[2]  
ELZHORY M, 1984, SYNTHESIS-STUTTGART, P972
[3]  
FAIR CK, 1990, ENRAF NONIUS MOLEN S
[4]  
JOHNSON CK, 1971, ONRL3794 REP
[5]  
MAIN P, 1982, MULTAN SYSTEM COMPUT
[6]  
RECK G, 1991, MOLGRAF COMPUTER PRO