1-[4-Chloro-3-(trifluoromethyl) phenyl]-4-phenyl-1H-1,2,3-triazole

被引:2
作者
Altimari, Jarrad M. [1 ]
Healy, Peter C. [2 ]
Henderson, Luke C. [3 ]
机构
[1] Deakin Univ, Fac Sci & Technol, SRC Biotechnol Chem & Syst Biol, Geelong, Vic 3216, Australia
[2] Griffith Univ, Queensland Micro & Nanotechnol Ctr, Brisbane, Qld 4111, Australia
[3] Deakin Univ, Fac Sci & Technol, Inst Frontier Mat, SRC Biotechnol Chem & Syst Biol, Geelong, Vic 3216, Australia
关键词
data-to-parameter ratio = 11.8; mean ̄(C-C) = 0.003 Å; R factor = 0.041; single-crystal X-ray study; T = 249 K; wR factor = 0.091;
D O I
10.1107/S1600536812042705
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C15H9ClF3N3, the phenyl and chlorotrifluoromethyl benzene rings are twisted with respect to the planar triazole group, making dihedral angles of 21.29 (12) and 32.19 (11)degrees, respectively. In the crystal, the molecules pack in a head-to-tail arrangement along the a axis with closest inter-centroid distances between the triazole rings of 3.7372 (12) angstrom.
引用
收藏
页码:O3159 / +
页数:8
相关论文
共 14 条
[1]   Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for β3 over α1β2γ2 GABA receptors [J].
Alam, Mohammad Sayed ;
Huang, Jia ;
Ozoe, Fumiyo ;
Matsumura, Fumio ;
Ozoe, Yoshihisa .
BIOORGANIC & MEDICINAL CHEMISTRY, 2007, 15 (15) :5090-5104
[2]   Synthesis and structure-activity relationships of 1-phenyl-1H-1,2,3-triazoles as selective insect GABA receptor antagonists [J].
Alam, MS ;
Kajiki, R ;
Hanatani, H ;
Kong, XY ;
Ozoe, F ;
Matsui, Y ;
Matsumura, F ;
Ozoe, Y .
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2006, 54 (04) :1361-1372
[3]   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
[4]  
[Anonymous], 2012, CRYSALIS PRO
[5]   CuI-catalyzed alkyne-azide "click" cycloadditions from a mechanistic and synthetic perspective [J].
Bock, VD ;
Hiemstra, H ;
van Maarseveen, JH .
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2006, 2006 (01) :51-68
[6]  
Farrugia L.J., 1997, J APPL CRYSTALLOGR, V30, P565, DOI [DOI 10.1107/S0021889897003117, 10.1107/S0021889897003117]
[7]   A comparative assessment of α-lipoic acid N-phenylamides as non-steroidal androgen receptor antagonists both on and off gold nanoparticles [J].
Henderson, Luke C. ;
Altimari, Jarrad M. ;
Dyson, Gail ;
Servinis, Linden ;
Niranjan, Birunthi ;
Risbridger, Gail P. .
BIOORGANIC CHEMISTRY, 2012, 40 :1-5
[8]   Design and combinatorial synthesis of a novel kinase-focused library using click chemistry-based fragment assembly [J].
Irie, Takayuki ;
Fujii, Ikuo ;
Sawa, Masaaki .
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2012, 22 (01) :591-596
[9]   'Click' assembly of selective inhibitors for MAO-A [J].
Jia, Zhao ;
Zhu, Qing .
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2010, 20 (21) :6222-6225
[10]   5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid [J].
Lin, Jin Rui ;
Yao, Ji Yuan ;
Zhao, Hong .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 :O1843-U2700