Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate
In the title molecule, C12H13NO5S, the benzisothiazole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the –C—C(=O)—O—C– sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° wi...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435796/ |
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pubmed-3435796 |
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pubmed-34357962012-09-11 Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate Zia-ur-Rehman, Muhammad Shahid, Bilal Siddiqui, Hamid Latif Ahmad, Tanveer Parvez, Masood Organic Papers In the title molecule, C12H13NO5S, the benzisothiazole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the –C—C(=O)—O—C– sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothiazole ring system. In the crystal, weak C—H⋯O hydrogen bonds involving methylene and methyne H atoms form R 4 3(20) graph-set motifs. International Union of Crystallography 2012-08-23 /pmc/articles/PMC3435796/ /pubmed/22969642 http://dx.doi.org/10.1107/S1600536812036148 Text en © Zia-ur-Rehman 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Zia-ur-Rehman, Muhammad Shahid, Bilal Siddiqui, Hamid Latif Ahmad, Tanveer Parvez, Masood |
| spellingShingle |
Zia-ur-Rehman, Muhammad Shahid, Bilal Siddiqui, Hamid Latif Ahmad, Tanveer Parvez, Masood Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| author_facet |
Zia-ur-Rehman, Muhammad Shahid, Bilal Siddiqui, Hamid Latif Ahmad, Tanveer Parvez, Masood |
| author_sort |
Zia-ur-Rehman, Muhammad |
| title |
Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| title_short |
Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| title_full |
Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| title_fullStr |
Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| title_full_unstemmed |
Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| title_sort |
propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)acetate |
| description |
In the title molecule, C12H13NO5S, the benzisothiazole ring system is essentially planar (r.m.s. deviation = 0.0169 Å) as is the –C—C(=O)—O—C– sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044 Å). The mean plane of these atoms forms a dihedral angle of 88.41 (7)° with the benzisothiazole ring system. In the crystal, weak C—H⋯O hydrogen bonds involving methylene and methyne H atoms form R
4
3(20) graph-set motifs. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435796/ |
| _version_ |
1611554789639847936 |