4-[Tris(1H-pyrazol-1-yl)methyl]phenol

被引：4

作者：

Chen, Xiao-Yan ^{[1
]}

Yang, Xiaoping ^{[1
]}

Holliday, Bradley J. ^{[1
]}

机构：

[1] Univ Texas Austin, Dept Chem & Biochem, Austin, TX 78712 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷

基金：

美国国家科学基金会;

关键词：

COMPLEXES; CHEMISTRY; LIGANDS;

D O I：

10.1107/S1600536811043042

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C16H14N6O, was prepared by the condensation of 4-(trifluoromethyl) phenol and sodium pyrazol-1-ide in a yield of 58%. The dihedral angles formed by the planes of the pyrazole rings are 50.7 (2), 71.2 (3) and 95.8 (2)degrees. The molecules are associated into dimers by pairs of intermolecular O-H center dot center dot center dot N hydrogen bonds involving the hydroxy groups and pyrazole N atoms. In addition, pi-pi stacking between the phenol rings of these inversion-related dimers is observed, with a ring centroid-to-centroid distance of 3.9247 (10) angstrom.

引用

页码：O3045 / U1490

页数：9

共 14 条

[1] SIR97:: a new tool for crystal structure determination and refinement [J].

Altomare, A ;

Burla, MC ;

Camalli, M ;

Cascarano, GL ;

Giacovazzo, C ;

Guagliardi, A ;

Moliterni, AGG ;

Polidori, G ;

Spagna, R .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1999, 32 :115-119

[2]

Farrugia L.J., 1997, J. Appl. Crystallogr., V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]

[3]

Farrugia L. J., 1999, Journal of Applied Crystallography, V32, P837, DOI [DOI 10.1107/S0021889812029111, 10.1107/S0021889899006020, DOI 10.1107/S0021889899006020]

[4] Copper(II) complexes of new potentially hexadentate N3S3- or N6-donor podand ligands based on the tris(pyrazolyl)borate or tris(pyrazolyl)methane core [J].

Humphrey, ER ;

Mann, KLV ;

Reeves, ZR ;

Behrendt, A ;

Jeffery, JC ;

Maher, JP ;

McCleverty, JA ;

Ward, MD .

NEW JOURNAL OF CHEMISTRY, 1999, 23 (04) :417-423

[5] A practical synthesis of tris(pyrazolyl)methylaryls [J].

Liddle, Brendan J. ;

Gardinier, James R. .

JOURNAL OF ORGANIC CHEMISTRY, 2007, 72 (25) :9794-9797

[6]

Nonius, 1998, COLLECT

[7] Processing of X-ray diffraction data collected in oscillation mode [J].

Otwinowski, Z ;

Minor, W .

MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 :307-326

[8] Metal derivatives of poly(pyrazolyl)alkanes - I. Tris(pyrazolyl)alkanes and related systems [J].

Pettinari, C ;

Pettinari, R .

COORDINATION CHEMISTRY REVIEWS, 2005, 249 (5-6) :525-543

[9]

*POV RAY PTY LTD, 2004, PERS VIS TEAM

[10] Syntheses of tris(pyrazolyl)methane ligands and {[tris(pyrazolyl)methane]Mn(CO)3}SO3CF3 complexes:: comparison of ligand donor properties [J].

Reger, DL ;

Grattan, TC ;

Brown, KJ ;

Little, CA ;

Lamba, JJS ;

Rheingold, AL ;

Sommer, RD .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2000, 607 (1-2) :120-128

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