4,4-Dimethyl-3,4-dihydropyrido[2′,3′:3,4]pyrazolo[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate

被引:3
作者
Dolzhenko, Anton V. [1 ]
Tan, Geok Kheng [2 ]
Dolzhenko, Anna V. [3 ]
Koh, Lip Lin [2 ]
Chui, Wai Keung [4 ]
机构
[1] Curtin Univ Technol, Fac Hlth Sci, Sch Pharm, Perth, WA 6845, Australia
[2] Natl Univ Singapore, Fac Sci, Dept Chem, Singapore 117543, Singapore
[3] Perm State Pharmaceut Acad, Perm 614990, Russia
[4] Natl Univ Singapore, Fac Sci, Dept Pharm, Singapore 117543, Singapore
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
基金
英国医学研究理事会;
关键词
D O I
10.1107/S160053681005097X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C10H12N6 center dot C2H5OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191 angstrom), which adopts a conformation best described as intermediate between a flattened twisted boat and a half-boat with the tertiary Csp(3) atom at the bow. In the crystal, molecules form centrosymmetric dimers connected by N center dot center dot center dot H-O and O center dot center dot center dot H-N hydrogen bonds between the amino group H atom, the ethanol solvent molecule and the triazine N atom, making an R-4(4)(12) graph-set motif. The other H atom of the amino group and the H atom on the endocyclic N atom form N center dot center dot center dot H-N hydrogen bonds with the N atoms of the pyrazole and pyridine rings, respectively, linking the molecules into C(7) C(7) chains with the R-2(2)(8) binary graph-set motif running along [010].
引用
收藏
页码:O83 / U2071
页数:14
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