(E)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

被引：2

作者：

Fun, Hoong-Kun ^{[1
]}

Quah, Ching Kheng ^{[1
]}

Malladi, Shridhar ^{[2
]}

Hebbar, Raghavendra ^{[2
]}

Isloor, Arun M. ^{[2
]}

机构：

[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, USM 11800, Penang, Malaysia

[2] Natl Inst Technol Karnataka, Dept Chem, Div Med Chem, Mangalore 575025, India

来源：

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

关键词：

D O I：

10.1107/S1600536811044400

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C25H18Cl2N2O2, the dihedral angles between the pyrazole ring and its N- and C-bonded benzene rings are 8.28 ( 11) and 40.89 (10)degrees, respectively. The dihedral angle between the benzene rings is 39.03 (11)degrees. The title molecule exists in a trans conformation with respect to the acyclic C C bond. In the crystal, molecules are linked into inversion dimers by pairs of intermolecular C-H center dot center dot center dot O hydrogen bonds, generating R-2(2)(14) loops.

引用

页码：O3105 / U2039

页数：11

共 7 条

[1] TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].

ALLEN, FH ;

KENNARD, O ;

WATSON, DG ;

BRAMMER, L ;

ORPEN, AG ;

TAYLOR, R .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19

[2]

[Anonymous], 2009, APEX2 SAINT SADABS

[3] PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].

BERNSTEIN, J ;

DAVIS, RE ;

SHIMONI, L ;

CHANG, NL .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573

[4] (E)-3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(2,4-dichlorophenyl)prop-2-en-1-one [J].

Fun, Hoong-Kun ;

Quah, Ching Kheng ;

Malladi, Shridhar ;

Isloor, Arun M. ;

Shivananda, Kammasandra N. .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O3104-U2028

[5] (E)-1-(2,4-Dichlorophenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one [J].

Fun, Hoong-Kun ;

Quah, Ching Kheng ;

Malladi, Shridhar ;

Isloor, Arun M. ;

Shivananda, Kammasandra N. .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O3102-U2017

[6] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

[7] Structure validation in chemical crystallography [J].

Spek, Anthony L. .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155

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