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Crystal structure of methyl 1-allyl-4-methyl-1H-benzo[c][1,2]thia-zine-3-carboxyl-ate 2,2-dioxide.

ABSTRACT: In the title compound, C14H15NO4S, the di-hydro-thia-zine ring adopts a distorted sofa conformation with the S atom displaced from the mean plane through the N and C ring atoms by 0.767?(1)?Å. The allyl substituent (C-C=C) is inclined to this mean plane by 78.5?(7)° and the acetate group [C(=O)-O-C] by 66.5?(3)°. In the crystal, mol-ecules are linked by C-H?? inter-actions forming chains propagating along the a-axis direction.

SUBMITTER: Azotla-Cruz L

PROVIDER: S-EPMC5095836 | biostudies-other | 2016 Nov

REPOSITORIES: biostudies-other

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Crystal structure of methyl 1-allyl-4-methyl-1H-benzo[c][1,2]thia-zine-3-carboxyl-ate 2,2-dioxide.

Azotla-Cruz Liliana L Shishkina Svitlana S Ukrainets Igor I Lijanova Irina I Likhanova Natalya N

Acta crystallographica. Section E, Crystallographic communications 20161014 Pt 11

In the title compound, C14H15NO4S, the di-hydro-thia-zine ring adopts a distorted sofa conformation with the S atom displaced from the mean plane through the N and C ring atoms by 0.767 (1) Å. The allyl substituent (C-C=C) is inclined to this mean plane by 78.5 (7)° and the acetate group [C(=O)-O-C] by 66.5 (3)°. In the crystal, mol-ecules are linked by C-H⋯π inter-actions forming chains propagating along the a-axis direction. ...[more]

PMID: 27840711

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