8-Methyl-2-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate

被引:1
作者
Dolzhenko, Anton V. [1 ]
Tan, Geok Kheng [2 ]
Dolzhenko, Anna V. [3 ]
Koh, Lip Lin [2 ]
Pastorin, Giorgia [1 ]
机构
[1] Natl Univ Singapore, Fac Sci, Dept Pharm, Singapore 117543, Singapore
[2] Natl Univ Singapore, Fac Sci, Dept Chem, Singapore 117543, Singapore
[3] Perm State Pharmaceut Acad, Perm 614990, Russia
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
基金
英国医学研究理事会;
关键词
PYRAZOLO-TRIAZOLO-PYRIMIDINES; ANTAGONISTS;
D O I
10.1107/S1600536810024591
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C14H10F3N7 center dot 2CH(4)O, the heterocyclic ring system is essentially planar (r.m.s. deviation = 0.009 angstrom) and makes a dihedral angle of 6.91 (8)degrees with the attached benzene ring. In the crystal, the main molecules form centrosymmetric R-2(2)(8) dimers via pairs of N-H center dot center dot center dot N hydrogen bonds between the amino groups and pyrimidine N atoms. One of the independent methanol molecules and its inversion equivalent are linked to the dimers via O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds, forming R-4(4)(16) graph-set motifs. The dimers along with the hydrogen-bonded methanol molecules are stacked along the a axis, with pi-pi interactions between the pyrazole and triazole rings [centroid-centroid distance = 3.4953 (10) angstrom].
引用
收藏
页码:O1835 / U855
页数:12
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