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2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide
In the title molecule, C(18)H(17)N(5)O(3)S(2), the heterocyclic thiazine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are ti...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979531/ https://www.ncbi.nlm.nih.gov/pubmed/21579367 http://dx.doi.org/10.1107/S1600536810015084 |
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author | Ahmad, Matloob Siddiqui, Hamid Latif Khan, Altaf Hussain Parvez, Masood |
author_facet | Ahmad, Matloob Siddiqui, Hamid Latif Khan, Altaf Hussain Parvez, Masood |
author_sort | Ahmad, Matloob |
collection | PubMed |
description | In the title molecule, C(18)H(17)N(5)O(3)S(2), the heterocyclic thiazine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are tilted at an angle of 10.9 (2)° with respect to one another. The crystal structure is stabilized by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, resulting in dimers forming nine-membered rings of graph-set motif R (2) (2)(9). In addition, intermolecular C—H⋯O interactions result in chains of molecules along the c axis, further consolidating the crystal packing. |
format | Text |
id | pubmed-2979531 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29795312010-12-30 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide Ahmad, Matloob Siddiqui, Hamid Latif Khan, Altaf Hussain Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(18)H(17)N(5)O(3)S(2), the heterocyclic thiazine ring adopts a twist boat conformation, with the S and N atoms displaced by 0.480 (7) and 0.205 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The pyrazole and benzene rings are tilted at an angle of 10.9 (2)° with respect to one another. The crystal structure is stabilized by intermolecular N—H⋯O and C—H⋯N hydrogen bonds, resulting in dimers forming nine-membered rings of graph-set motif R (2) (2)(9). In addition, intermolecular C—H⋯O interactions result in chains of molecules along the c axis, further consolidating the crystal packing. International Union of Crystallography 2010-05-08 /pmc/articles/PMC2979531/ /pubmed/21579367 http://dx.doi.org/10.1107/S1600536810015084 Text en © Ahmad et al. 2010 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 Ahmad, Matloob Siddiqui, Hamid Latif Khan, Altaf Hussain Parvez, Masood 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide |
title | 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide |
title_full | 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide |
title_fullStr | 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide |
title_full_unstemmed | 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide |
title_short | 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide |
title_sort | 2-(3,4-dimethyl-5,5-dioxo-2h,4h-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-n′-(2-thienylmethylidene)acetohydrazide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979531/ https://www.ncbi.nlm.nih.gov/pubmed/21579367 http://dx.doi.org/10.1107/S1600536810015084 |
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