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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3379202 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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
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title_full | 10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine
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title_fullStr | 10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine
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title_full_unstemmed | 10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine
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title_short | 10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine
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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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