STRUCTURE OF 3(5)-METHYL-4-NITROPYRAZOLE IN THE SOLID-STATE - TAUTOMERISM, CRYSTALLOGRAPHY AND THE PROBLEM OF DESMOTROPY

被引:45
作者
FOCESFOCES, C
LLAMASSAIZ, AL
CLARAMUNT, RM
LOPEZ, C
ELGUERO, J
机构
[1] UNIV NACL EDUC DISTANCIA,DEPT QUIM ORGAN & BIOL,E-28040 MADRID,SPAIN
[2] CSIC,INST QUIM MED,E-28006 MADRID,SPAIN
关键词
D O I
10.1039/c39940001143
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The first example of desmotropy in azoles has been found concerning 3-methyl-4-nitropyrazole and its tautomer, 5-methyl-4-nitropyrazole: the crystal and molecular stucture of both tautomers has been determined by X-ray analysis, C-13 CPMAS NMR spectroscopy has been used for studying the isomerization processes in the solid state.
引用
收藏
页码:1143 / 1145
页数:3
相关论文
共 24 条
[2]   THE TAUTOMERISM OF 3(5)-PHENYLPYRAZOLES - AN EXPERIMENTAL (H-1, C-13, N-15 NMR AND X-RAY CRYSTALLOGRAPHY) STUDY [J].
AGUILARPARRILLA, F ;
CATIVIELA, C ;
DEVILLEGAS, MDD ;
ELGUERO, J ;
FOCESFOCES, C ;
LAUREIRO, JIG ;
CANO, FH ;
LIMBACH, HH ;
SMITH, JAS ;
TOIRON, C .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1992, (10) :1737-1742
[3]   C-13 NMR OF PYRAZOLES [J].
BEGTRUP, M ;
BOYER, G ;
CABILDO, P ;
CATIVIELA, C ;
CLARAMUNT, RM ;
ELGUERO, J ;
GARCIA, JI ;
TOIRON, C ;
VEDSO, P .
MAGNETIC RESONANCE IN CHEMISTRY, 1993, 31 (02) :107-168
[4]  
Betchel F., 1973, CRYST STRUCT COMMUN, V2, P469
[5]  
Beurskens P. T., 1992, DIRDIF PROGRAM SYSTE
[6]   BENZOTRIAZOLE 1-OXIDE AND 1-HYDROXYBENZOTRIAZOLE, C6H5N3O - STRUCTURES OF BOTH TAUTOMERIC FORMS [J].
BOSCH, R ;
JUNG, G ;
WINTER, W .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1983, 39 (AUG) :1089-1092
[7]   TAUTOMERISM OF CRYSTALLINE CHLOROACYLATED AMINOBENZOTHIAZOLES [J].
COSTAKIS, E ;
CANONNE, P ;
TSATSAS, G .
CANADIAN JOURNAL OF CHEMISTRY, 1969, 47 (23) :4483-&
[8]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[9]  
DOMENICANO A, 1979, TETRAHEDRON LETT, P2283
[10]  
ELGUERO J, 1966, B SOC CHIM FR, P3727