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4,4-Dimethyl-3,4-dihydro-pyrido[2',3':3,4]pyrazolo-[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate.

ABSTRACT: In the title compound, C(10)H(12)N(6)·C(2)H(5)OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191?Å), which adopts a conformation best described as inter-mediate between a flattened twisted boat and a half-boat with the tertiary Csp(3) atom at the bow. In the crystal, mol-ecules form centrosymmetric dimers connected by N?H-O and O?H-N hydrogen bonds between the amino group H atom, the ethanol solvent mol-ecule 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?H-N hydrogen bonds with the N atoms of the pyrazole and pyridine rings, respectively, linking the mol-ecules into C(7)C(7) chains with the R(2) (2)(8) binary graph-set motif running along [010].

SUBMITTER: Dolzhenko AV 

PROVIDER: S-EPMC3050164 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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4,4-Dimethyl-3,4-dihydro-pyrido[2',3':3,4]pyrazolo-[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate.

Dolzhenko Anton V AV   Tan Geok Kheng GK   Dolzhenko Anna V AV   Koh Lip Lin LL   Chui Wai Keung WK  

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the title compound, C(10)H(12)N(6)·C(2)H(5)OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191 Å), which adopts a conformation best described as inter-mediate between a flattened twisted boat and a half-boat with the tertiary Csp(3) atom at the bow. In the crystal, mol-ecules form centrosymmetric dimers connected by N⋯H-O and O⋯H-N hydrogen bonds between the amino group H atom, the ethanol solvent mol-ecule and the triazine N atom  ...[more]

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