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

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 inter­mediate between a flattened twisted boat and a half-boat with the tertiary Csp (3)...

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Autores principales: Dolzhenko, Anton V., Tan, Geok Kheng, Dolzhenko, Anna V., Koh, Lip Lin, Chui, Wai Keung
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050164/
https://www.ncbi.nlm.nih.gov/pubmed/21522794
http://dx.doi.org/10.1107/S160053681005097X
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author Dolzhenko, Anton V.
Tan, Geok Kheng
Dolzhenko, Anna V.
Koh, Lip Lin
Chui, Wai Keung
author_facet Dolzhenko, Anton V.
Tan, Geok Kheng
Dolzhenko, Anna V.
Koh, Lip Lin
Chui, Wai Keung
author_sort Dolzhenko, Anton V.
collection PubMed
description 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 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⋯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 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 mol­ecules into C(7)C(7) chains with the R (2) (2)(8) binary graph-set motif running along [010].
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spelling pubmed-30501642011-04-26 4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate Dolzhenko, Anton V. Tan, Geok Kheng Dolzhenko, Anna V. Koh, Lip Lin Chui, Wai Keung Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 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⋯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 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 mol­ecules into C(7)C(7) chains with the R (2) (2)(8) binary graph-set motif running along [010]. International Union of Crystallography 2010-12-11 /pmc/articles/PMC3050164/ /pubmed/21522794 http://dx.doi.org/10.1107/S160053681005097X Text en © Dolzhenko et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Dolzhenko, Anton V.
Tan, Geok Kheng
Dolzhenko, Anna V.
Koh, Lip Lin
Chui, Wai Keung
4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
title 4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
title_full 4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
title_fullStr 4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
title_full_unstemmed 4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
title_short 4,4-Dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
title_sort 4,4-dimethyl-3,4-dihydro­pyrido[2′,3′:3,4]pyrazolo­[1,5-a][1,3,5]triazin-2-amine ethanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050164/
https://www.ncbi.nlm.nih.gov/pubmed/21522794
http://dx.doi.org/10.1107/S160053681005097X
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