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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 AV, Tan GK, Dolzhenko AV, Koh LL, Chui WK - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: 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].

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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].

No MeSH data available.


Annular tautomerism in 4,4-dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-a][1,3,5]triazin-2-amine.
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Fap4: Annular tautomerism in 4,4-dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-a][1,3,5]triazin-2-amine.


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

Dolzhenko AV, Tan GK, Dolzhenko AV, Koh LL, Chui WK - Acta Crystallogr Sect E Struct Rep Online (2010)

Annular tautomerism in 4,4-dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-a][1,3,5]triazin-2-amine.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050164&req=5

Fap4: Annular tautomerism in 4,4-dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-a][1,3,5]triazin-2-amine.
Bottom Line: 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].

View Article: PubMed Central - HTML - PubMed

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].

No MeSH data available.