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10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine

In the title mol­ecule [systematic name: 10-(prop-2-yn-1-yl)dipyrido[3,4-b:3′,4′-e][1,4]thia­zine], C(13)H(9)N(3)S, the dihedral angle between the two pyridine rings is 146.33 (7)° and the angle between two halves of the thia­zine ring is 138.84 (8)°, resulting in a butterfly shape for the tricyclic...

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Autores principales: Morak-Młodawska, Beata, Suwińska, Kinga, Pluta, Krystian, Jeleń, Małgorzata
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379202/
https://www.ncbi.nlm.nih.gov/pubmed/22719400
http://dx.doi.org/10.1107/S1600536812018879
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author Morak-Młodawska, Beata
Suwińska, Kinga
Pluta, Krystian
Jeleń, Małgorzata
author_facet Morak-Młodawska, Beata
Suwińska, Kinga
Pluta, Krystian
Jeleń, Małgorzata
author_sort Morak-Młodawska, Beata
collection PubMed
description In the title mol­ecule [systematic name: 10-(prop-2-yn-1-yl)dipyrido[3,4-b:3′,4′-e][1,4]thia­zine], C(13)H(9)N(3)S, the dihedral angle between the two pyridine rings is 146.33 (7)° and the angle between two halves of the thia­zine ring is 138.84 (8)°, resulting in a butterfly shape for the tricyclic system. The central thia­zine ring adopts a boat conformation, with the 2-propynyl substituent at the thia­zine N atom located in a pseudo-equatorial position and oriented to the concave side of the diaza­phenothia­zine system. In the crystal, mol­ecules are arranged via π–π inter­actions between the pyridine rings [centroid–centroid distances = 3.838 (1) and 3.845 (1) Å] into stacks extending along [001]. There are C—H⋯C and C—H⋯N inter­actions between mol­ecules of neighbouring stacks.
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spelling pubmed-33792022012-06-20 10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine Morak-Młodawska, Beata Suwińska, Kinga Pluta, Krystian Jeleń, Małgorzata Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule [systematic name: 10-(prop-2-yn-1-yl)dipyrido[3,4-b:3′,4′-e][1,4]thia­zine], C(13)H(9)N(3)S, the dihedral angle between the two pyridine rings is 146.33 (7)° and the angle between two halves of the thia­zine ring is 138.84 (8)°, resulting in a butterfly shape for the tricyclic system. The central thia­zine ring adopts a boat conformation, with the 2-propynyl substituent at the thia­zine N atom located in a pseudo-equatorial position and oriented to the concave side of the diaza­phenothia­zine system. In the crystal, mol­ecules are arranged via π–π inter­actions between the pyridine rings [centroid–centroid distances = 3.838 (1) and 3.845 (1) Å] into stacks extending along [001]. There are C—H⋯C and C—H⋯N inter­actions between mol­ecules of neighbouring stacks. International Union of Crystallography 2012-05-02 /pmc/articles/PMC3379202/ /pubmed/22719400 http://dx.doi.org/10.1107/S1600536812018879 Text en © Morak-Młodawska et al. 2012 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
Morak-Młodawska, Beata
Suwińska, Kinga
Pluta, Krystian
Jeleń, Małgorzata
10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
title 10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
title_full 10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
title_fullStr 10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
title_full_unstemmed 10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
title_short 10-(Prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
title_sort 10-(prop-2-yn-1-yl)-2,7-diaza­phenothia­zine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379202/
https://www.ncbi.nlm.nih.gov/pubmed/22719400
http://dx.doi.org/10.1107/S1600536812018879
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