4,4-Dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-a ][1,3,5]triazin-2-amine ethanol monosolvate
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In the title compound, C10H12N6.C2H5OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191 A), which adopts a conformation best described as intermediate between a flattened twisted boat and a half-boat with the tertiary Csp3 atom at the bow. In the crystal, molecules form centrosymmetric dimers connected by N...H-O and O...H-N hydrogen bonds between the amino group H atom, the ethanol solvent molecule and the triazine N atom, making an R4 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 molecules into C(7)C(7) chains with the R2 2(8) binary graph-set motif running along .
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Dolzhenko, Anton; Dolzhenko, A.; Chui, W. (2007)The substitution of hydrogen by fluorine as bioisosteric replacement has been practised widely in agricultural and medicinal chemistry. This has led to the discovery of many pesticides and therapeutically useful chemical ...
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Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine Dolzhenko, Anton; Tan, G.; Koh, L.; Dolzhenko, A.; Chui, W. (2011)When crystallized from ethanol, 7,7-dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine forms crystals which have monoclinic (P21/n) symmetry with unit cell dimensions a = 7.3326(5) Å, b = ...