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Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor

In crystal structure of the title compound, C(12)H(21)N(3)O(5)S(3) [systematic name: (R)-4-ethyl­amino-2-(3-meth­oxy­prop­yl)-3,4-di­hydro-2H-thieno[3,2-e][1,2]thia­zine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding inter­actions. The sulfonamide group is involved in hydrog...

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Detalles Bibliográficos
Autores principales: Zheng, Huirong, Lou, Benyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908529/
https://www.ncbi.nlm.nih.gov/pubmed/27308020
http://dx.doi.org/10.1107/S2056989016006022
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author Zheng, Huirong
Lou, Benyong
author_facet Zheng, Huirong
Lou, Benyong
author_sort Zheng, Huirong
collection PubMed
description In crystal structure of the title compound, C(12)H(21)N(3)O(5)S(3) [systematic name: (R)-4-ethyl­amino-2-(3-meth­oxy­prop­yl)-3,4-di­hydro-2H-thieno[3,2-e][1,2]thia­zine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding inter­actions. The sulfonamide group is involved in hydrogen bonding with the secondary amine and the meth­oxy O atom, resulting in the formation of layers parallel to the bc plane. The layers are linked by an N—H⋯O hydrogen bond involving a sulfonamide O atom as acceptor and the secondary amine H atom as donor, which gives rise to the formation of a unique bilayer structure. The absolute structure of the mol­ecule in the crystal was determined by resonant scattering [Flack parameter = 0.01 (4)].
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spelling pubmed-49085292016-06-15 Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor Zheng, Huirong Lou, Benyong Acta Crystallogr E Crystallogr Commun Research Communications In crystal structure of the title compound, C(12)H(21)N(3)O(5)S(3) [systematic name: (R)-4-ethyl­amino-2-(3-meth­oxy­prop­yl)-3,4-di­hydro-2H-thieno[3,2-e][1,2]thia­zine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding inter­actions. The sulfonamide group is involved in hydrogen bonding with the secondary amine and the meth­oxy O atom, resulting in the formation of layers parallel to the bc plane. The layers are linked by an N—H⋯O hydrogen bond involving a sulfonamide O atom as acceptor and the secondary amine H atom as donor, which gives rise to the formation of a unique bilayer structure. The absolute structure of the mol­ecule in the crystal was determined by resonant scattering [Flack parameter = 0.01 (4)]. International Union of Crystallography 2016-04-15 /pmc/articles/PMC4908529/ /pubmed/27308020 http://dx.doi.org/10.1107/S2056989016006022 Text en © Zheng and Lou 2016 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 Research Communications
Zheng, Huirong
Lou, Benyong
Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor
title Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor
title_full Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor
title_fullStr Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor
title_full_unstemmed Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor
title_short Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor
title_sort crystal structure of brinzolamide: a carbonic anhydrase inhibitor
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908529/
https://www.ncbi.nlm.nih.gov/pubmed/27308020
http://dx.doi.org/10.1107/S2056989016006022
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