Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate

The title mol­ecule crystallizes as a di­methyl­formamide monosolvate, C(19)H(14)N(2)O(6)S(2)·C(3)H(7)NO. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1. In the crystal, mo...

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Autores principales: Rybalka, Andrii, Shishkina, Svitlana, Ukrainets, Igor, Sidorenko, Lyudmila, Sim, Galina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659341/
https://www.ncbi.nlm.nih.gov/pubmed/31392028
http://dx.doi.org/10.1107/S2056989019008788
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author Rybalka, Andrii
Shishkina, Svitlana
Ukrainets, Igor
Sidorenko, Lyudmila
Sim, Galina
author_facet Rybalka, Andrii
Shishkina, Svitlana
Ukrainets, Igor
Sidorenko, Lyudmila
Sim, Galina
author_sort Rybalka, Andrii
collection PubMed
description The title mol­ecule crystallizes as a di­methyl­formamide monosolvate, C(19)H(14)N(2)O(6)S(2)·C(3)H(7)NO. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1. In the crystal, mol­ecules form two types of stacking dimers with distances of 3.464 (2) Å and 3.528 (2) Å between π-systems. As a result, columns extending parallel to [100] are formed, which are connected to inter­mediate di­methyl­formamide solvent mol­ecules by C—H⋯O inter­actions.
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spelling pubmed-66593412019-08-07 Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate Rybalka, Andrii Shishkina, Svitlana Ukrainets, Igor Sidorenko, Lyudmila Sim, Galina Acta Crystallogr E Crystallogr Commun Research Communications The title mol­ecule crystallizes as a di­methyl­formamide monosolvate, C(19)H(14)N(2)O(6)S(2)·C(3)H(7)NO. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1. In the crystal, mol­ecules form two types of stacking dimers with distances of 3.464 (2) Å and 3.528 (2) Å between π-systems. As a result, columns extending parallel to [100] are formed, which are connected to inter­mediate di­methyl­formamide solvent mol­ecules by C—H⋯O inter­actions. International Union of Crystallography 2019-06-28 /pmc/articles/PMC6659341/ /pubmed/31392028 http://dx.doi.org/10.1107/S2056989019008788 Text en © Rybalka et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Rybalka, Andrii
Shishkina, Svitlana
Ukrainets, Igor
Sidorenko, Lyudmila
Sim, Galina
Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
title Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
title_full Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
title_fullStr Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
title_full_unstemmed Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
title_short Mol­ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
title_sort mol­ecular and crystal structure of 5,9-dimethyl-5h-pyrano[3,2-c:5,6-c′]bis­[2,1-benzo­thia­zin]-7(9h)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659341/
https://www.ncbi.nlm.nih.gov/pubmed/31392028
http://dx.doi.org/10.1107/S2056989019008788
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