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...
| Main Authors: | , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435796/ |
| Summary: | 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
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3(20) graph-set motifs. |
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