Synthesis and crystal structure of 1-[(1′-phenyl-5′-methyl-4′-pyrazolcarbonyl)3-methylthio-5-amino-1H-yl-1,2,4-triazole

被引：0

作者：

Li, M ^{[1
]}

Wang, SW

Wen, LR

Qi, WY

Yang, HZ

机构：

[1] Qingdao Univ Sci & Technol, Coll Chem & Mol Engn, Qingdao 266042, Peoples R China

[2] Nankai Univ, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China

来源：

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2005年 / 24卷 / 01期

关键词：

pyrazolcarbonyltriazole; CIDT; crystal structure; synthesis;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structure of 1-[(1'-phenyl-5'-methyl-4'-pyrazolcarbonyl)]-3-methyl thio-5-amino-1H-yl-1,2,4-triazole (C14H14N6OS, M-r = 314.37) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P (1) over bar with a = 8.026(3), b = 8.651(4), c = 11.369(5) Angstrom, alpha = 89.917(7), beta = 89.084(7), gamma = 68.470(6)degrees, V = 734.2(5) Angstrom(3), Z = 2, D-c = 1.422 g/cm(3), mu = 0.232 mm(-1), F(000) = 328, R = 0.0376 and wR = 0.0890 for 2950 unique reflections. The crystal structure shows the presence of a dimmer with intermolecular N(4)-H(4)...N(3A) hydrogen bonds.

引用

页码：64 / 68

页数：5

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