4-(1H-1,2,4-triazol-1-yl)phenol

被引：16

作者：

Foces-Foces, C

Cabildo, P

Claramunt, RM

Elguero, J

机构：

[1] CSIC, Dept Cristalog, Inst Rocasolano, E-28006 Madrid, Spain

[2] Univ Nacl Educ Distancia, Dept Quim Organ & Biol, Fac Ciencias, E-28040 Madrid, Spain

[3] CSIC, Inst Quim Med, E-28006 Madrid, Spain

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 1999年 / 55卷

关键词：

D O I：

10.1107/S0108270199003558

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The secondary structure of the title compound, C8H7N3O, consists Of O-H ... N hydrogen-bonding catemers, similar to those of the parent 1,2,4-triazole, where the molecules are linked by N-H ... N bonds. Chains related by translation are linked by CH(triazole)... O/N interactions to give a tertiary structure of corrugated sheets parallel to the ac plane. The quaternary structure is due to C-H(Ph)... O contacts and to the stacking of triazole rings from centrosymmetrically related sheets.

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收藏

页码：1160 / 1163

页数：4

相关论文

共 17 条

[1]

ACKLIN P, 1998, Patent No. 9749395

[2] THE DEVELOPMENT OF VERSION-3 AND VERSION-4 OF THE CAMBRIDGE STRUCTURAL DATABASE SYSTEM [J].

ALLEN, FH ;

DAVIES, JE ;

GALLOY, JJ ;

JOHNSON, O ;

KENNARD, O ;

MACRAE, CF ;

MITCHELL, EM ;

MITCHELL, GF ;

SMITH, JM ;

WATSON, DG .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (02) :187-204

[3]

Altomare A, 1997, SIR97 PACKAGE CRYSTA

[4]

APPLEMAN DE, 1984, LSUCRE PROGRAM LEAST

[5] NEW ULTRAVIOLET STABILIZERS - 3-(2'-HYDROXYPHENYL)PYRAZOLE AND 5-(2'-HYDROXYPHENYL)PYRAZOLE [J].

CATALAN, J ;

FABERO, F ;

CLARAMUNT, RM ;

MARIA, MDS ;

FOCESFOCES, MDC ;

CANO, FH ;

MARTINEZRIPOLL, M ;

ELGUERO, J ;

SASTRE, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (13) :5039-5048

[6] TOWARD THE PHOTOSTABILITY MECHANISM OF INTRAMOLECULAR HYDROGEN-BOND SYSTEMS .4. 3(5)-(1'-HYDROXY-2'-NAPHTHYL)PYRAZOLES AND 3(5)-(2'-HYDROXY-1'-NAPHTHYL)PYRAZOLES [J].

CATALAN, J ;

DELVALLE, JC ;

CLARAMUNT, RM ;

MARIA, MDS ;

BOBOSIK, V ;

MOCELO, R ;

ELGUERO, J .

JOURNAL OF ORGANIC CHEMISTRY, 1995, 60 (11) :3427-3439

[7]

DOMENICANO A, 1979, TETRAHEDRON LETT, P2283

[8] Studies of intramolecular hydrogen bonds (IMHB):: crystal and molecular structure of 2-(2′-hydroxy-phenyl)imidazoles [J].

Foces-Foces, C ;

Llamas-Saiz, AL ;

Claramunt, RM ;

Cabildo, P ;

Elguero, J .

JOURNAL OF MOLECULAR STRUCTURE, 1998, 440 (1-3) :193-202

[9] Experimental electron density study of 1,2,4-triazole at 15 K. A comparison with ab initio calculations [J].

Fuhrmann, P ;

Koritsanszky, T ;

Luger, P .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1997, 212 (03) :213-220

[10] REFINEMENT OF CRYSTAL AND MOLECULAR STRUCTURE OF 1,2,4-TRIAZOLE (C2H3N3) AT LOW TEMPERATURE [J].

GOLDSTEIN, P ;

LADELL, J ;

ABOWITZ, G .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1969, B 25 :135-+