Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate

In the title mol­ecule, C(15)H(17)N(3)O(4)S, the heterocyclic thia­zine ring adopts a twist-boat conformation, which differs from that in related compounds, with adjacent S and C atoms displaced by 0.981 (4) and 0.413 (5) Å, respectively, on the same side of the mean plane formed by the remaining ri...

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Autores principales: Aslam, Sana, Siddiqui, Hamid Latif, Ahmad, Matloob, Zia-ur-Rehman, Muhammad, Parvez, Masood
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470368/
https://www.ncbi.nlm.nih.gov/pubmed/23125781
http://dx.doi.org/10.1107/S1600536812039797
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author Aslam, Sana
Siddiqui, Hamid Latif
Ahmad, Matloob
Zia-ur-Rehman, Muhammad
Parvez, Masood
author_facet Aslam, Sana
Siddiqui, Hamid Latif
Ahmad, Matloob
Zia-ur-Rehman, Muhammad
Parvez, Masood
author_sort Aslam, Sana
collection PubMed
description In the title mol­ecule, C(15)H(17)N(3)O(4)S, the heterocyclic thia­zine ring adopts a twist-boat conformation, which differs from that in related compounds, with adjacent S and C atoms displaced by 0.981 (4) and 0.413 (5) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean plane of the benzene ring makes a dihedral angle of 23.43 (14)° with the mean plane of the pyrazole ring. In the crystal, mol­ecules are connected by weak C—H⋯O hydrogen bonds to form a three-dimensional network. The H atoms of the methyl group attached to the pyrazole ring were refined over six sites with equal occupancies.
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spelling pubmed-34703682012-11-02 Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate Aslam, Sana Siddiqui, Hamid Latif Ahmad, Matloob Zia-ur-Rehman, Muhammad Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(15)H(17)N(3)O(4)S, the heterocyclic thia­zine ring adopts a twist-boat conformation, which differs from that in related compounds, with adjacent S and C atoms displaced by 0.981 (4) and 0.413 (5) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean plane of the benzene ring makes a dihedral angle of 23.43 (14)° with the mean plane of the pyrazole ring. In the crystal, mol­ecules are connected by weak C—H⋯O hydrogen bonds to form a three-dimensional network. The H atoms of the methyl group attached to the pyrazole ring were refined over six sites with equal occupancies. International Union of Crystallography 2012-09-26 /pmc/articles/PMC3470368/ /pubmed/23125781 http://dx.doi.org/10.1107/S1600536812039797 Text en © Aslam 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
Aslam, Sana
Siddiqui, Hamid Latif
Ahmad, Matloob
Zia-ur-Rehman, Muhammad
Parvez, Masood
Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
title Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
title_full Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
title_fullStr Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
title_full_unstemmed Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
title_short Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
title_sort ethyl 2-(3,4-dimethyl-5,5-dioxo-1h,4h-benzo[e]pyrazolo­[4,3-c][1,2]thia­zin-1-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470368/
https://www.ncbi.nlm.nih.gov/pubmed/23125781
http://dx.doi.org/10.1107/S1600536812039797
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AT ahmadmatloob ethyl234dimethyl55dioxo1h4hbenzoepyrazolo43c12thiazin1ylacetate
AT ziaurrehmanmuhammad ethyl234dimethyl55dioxo1h4hbenzoepyrazolo43c12thiazin1ylacetate
AT parvezmasood ethyl234dimethyl55dioxo1h4hbenzoepyrazolo43c12thiazin1ylacetate

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