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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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)]. |
format | Online Article Text |
id | pubmed-4908529 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT zhenghuirong crystalstructureofbrinzolamideacarbonicanhydraseinhibitor AT loubenyong crystalstructureofbrinzolamideacarbonicanhydraseinhibitor |