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N-Acetonylsaccharin
In the title compound [systematic name: 2-(2-oxopropyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide], C(10)H(9)NO(4)S, the benzothiazole unit is essentially planar [maximum deviation = 0.0490 (9) Å for the S atom] and the oxopropyl group is inclined at an angle 75.61 (8)° with respect to its mean pla...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970051/ https://www.ncbi.nlm.nih.gov/pubmed/21577589 http://dx.doi.org/10.1107/S1600536809030773 |
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author | Ahmad, Matloob Siddiqui, Hamid Latif Azam, Muhammad Siddiqui, Waseeq Ahmad Parvez, Masood |
author_facet | Ahmad, Matloob Siddiqui, Hamid Latif Azam, Muhammad Siddiqui, Waseeq Ahmad Parvez, Masood |
author_sort | Ahmad, Matloob |
collection | PubMed |
description | In the title compound [systematic name: 2-(2-oxopropyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide], C(10)H(9)NO(4)S, the benzothiazole unit is essentially planar [maximum deviation = 0.0490 (9) Å for the S atom] and the oxopropyl group is inclined at an angle 75.61 (8)° with respect to its mean plane. In the crystal, molecules are held together by weak intermolecular C—H⋯O non-classical hydrogen bonds, resulting in centrosymmetric dimeric units, forming 14-membered ring systems which may be described as R (2) (2)(14) ring motifs. Moreover, molecules lying about inversion centers show π–π interactions, with centroid–centroid separations between the benzene rings of 3.676 (2) Å. |
format | Text |
id | pubmed-2970051 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29700512010-12-30 N-Acetonylsaccharin Ahmad, Matloob Siddiqui, Hamid Latif Azam, Muhammad Siddiqui, Waseeq Ahmad Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound [systematic name: 2-(2-oxopropyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide], C(10)H(9)NO(4)S, the benzothiazole unit is essentially planar [maximum deviation = 0.0490 (9) Å for the S atom] and the oxopropyl group is inclined at an angle 75.61 (8)° with respect to its mean plane. In the crystal, molecules are held together by weak intermolecular C—H⋯O non-classical hydrogen bonds, resulting in centrosymmetric dimeric units, forming 14-membered ring systems which may be described as R (2) (2)(14) ring motifs. Moreover, molecules lying about inversion centers show π–π interactions, with centroid–centroid separations between the benzene rings of 3.676 (2) Å. International Union of Crystallography 2009-08-19 /pmc/articles/PMC2970051/ /pubmed/21577589 http://dx.doi.org/10.1107/S1600536809030773 Text en © Ahmad et al. 2009 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 Azam, Muhammad Siddiqui, Waseeq Ahmad Parvez, Masood N-Acetonylsaccharin |
title |
N-Acetonylsaccharin |
title_full |
N-Acetonylsaccharin |
title_fullStr |
N-Acetonylsaccharin |
title_full_unstemmed |
N-Acetonylsaccharin |
title_short |
N-Acetonylsaccharin |
title_sort | n-acetonylsaccharin |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970051/ https://www.ncbi.nlm.nih.gov/pubmed/21577589 http://dx.doi.org/10.1107/S1600536809030773 |
work_keys_str_mv | AT ahmadmatloob nacetonylsaccharin AT siddiquihamidlatif nacetonylsaccharin AT azammuhammad nacetonylsaccharin AT siddiquiwaseeqahmad nacetonylsaccharin AT parvezmasood nacetonylsaccharin |