STRUCTURE OF 3,5-PYRAZOLEDIMETHANOL - AN X-RAY AND C-13 SOLID-STATE NMR-STUDY

被引：11
|
作者：
LLAMASSAIZ, AL [1 ]
FOCESFOCES, C [1 ]
ELGUERO, J [1 ]
MEUTERMANS, W [1 ]
机构：
[1] CSIC,INST QUIM MED,E-28006 MADRID,SPAIN
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1992年 / 48卷
关键词：
D O I：
10.1107/S0108270191011228
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
C5H8N2O2, M(r) = 128.1, monoclinic, C2/c, a = 12.9884 (5), b = 4.6517 (1), c = 20.7870 (11) angstrom, beta = 102.436 (3)-degrees, V = 1226.44 (9) angstrom 3, Z = 8, D(x) = 1.388 Mg m-3, lambda(Cu K-alpha) = 1.5418 angstrom, mu = 0.877 mm-1, F(000) = 544, T = 293 K, R = 0.051 for 900 observed reflections The hydroxyl group are situated almost perpendicular to the pyrazole ring. The crystal structure is stabilized by strong linear N-H...N, N-H...O, O-H...N and O-H...O hydrogen bonds. Although two identical tautomers are present in the crystal, no dynamic behaviour was observed by NMR (C-13 CP/MAS technique) proving that the disorder is static.
引用
收藏
页码：714 / 717
页数：4
相关论文
共 50 条
  • [31] SOLID-STATE C-13 NMR-STUDY OF THERMALLY UPGRADED LOW-RANK COALS
    LAM, WW
    OGUNSOLA, OI
    FUEL SCIENCE & TECHNOLOGY INTERNATIONAL, 1995, 13 (06): : 713 - 725
  • [32] C-13 NMR OF POLYURETHANE IN THE SOLID-STATE
    SHIIBASHI, T
    KITAZAWA, Y
    ARAI, K
    MAEKAWA, E
    KOBUNSHI RONBUNSHU, 1988, 45 (02) : 147 - 153
  • [33] AN X-RAY AND C-13 CP MAS NMR-STUDY OF C,C-LINKED BIPYRAZOLES AND BISPYRAZOLYLMETHANES
    MONGE, MA
    PUEBLA, EG
    ELGUERO, J
    TOIRON, C
    MEUTERMANS, W
    SOBRADOS, I
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1994, 50 (04): : 727 - 734
  • [34] H-1 AND C-13 NMR-STUDY OF CYCLOPENTADIENYL METAL-CARBONYLS IN THE SOLID-STATE
    AIME, S
    CORDERO, L
    GOBETTO, R
    SZALONTAI, G
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1993, 49 (09): : 1307 - 1314
  • [35] SOLID-STATE C-13 AND N-15 NMR-STUDY OF THE LOW PH FORMS OF BACTERIORHODOPSIN
    DEGROOT, HJM
    SMITH, SO
    COURTIN, J
    VANDENBERG, E
    WINKEL, C
    LUGTENBURG, J
    GRIFFIN, RG
    HERZFELD, J
    BIOCHEMISTRY, 1990, 29 (29) : 6873 - 6883
  • [36] C-13 NMR-STUDY OF THE SOLID-STATE PHOTOCHEMISTRY OF POLY(ETHYLENE-CO-CARBON MONOXIDE)
    BOVEY, FA
    GOODEN, R
    SCHILLING, FC
    WINSLOW, FH
    MACROMOLECULES, 1988, 21 (04) : 938 - 944
  • [37] C-13 NMR-STUDY OF THE SOLID-STATE PHOTOCHEMISTRY OF POLY(ETHYLENE-CO-CARBON MONOXIDE)
    BOVEY, FA
    GOODEN, R
    SCHILLING, FC
    WINSLOW, FH
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1987, 193 : 142 - POLY
  • [38] N-15 AND C-13 NMR-STUDY OF ACYLATED HYDRAZINES - THE INSTABILITY OF TRIFLUOROACETHYDRAZIDE IN THE SOLID-STATE
    FRITZ, H
    KRISTINSSON, H
    MOLLENKOPF, M
    WINKLER, T
    MAGNETIC RESONANCE IN CHEMISTRY, 1990, 28 (04) : 331 - 336
  • [39] A SOLID-STATE C-13 NMR-STUDY OF THE MOLECULAR-MOTION OF ETHYLENE ADSORBED ON A SILVER SURFACE
    WANG, JX
    ELLIS, PD
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (01) : 212 - 217
  • [40] C-13 SOLID-STATE NMR-STUDY OF DIFFERENTLY PROCESSED POLY(ETHYLENE-TEREPHTHALATE) YARNS
    GABRIELSE, W
    GAUR, HA
    FEYEN, FC
    VEEMAN, WS
    MACROMOLECULES, 1994, 27 (20) : 5811 - 5820
12345