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Methyl 1-allyl-4-hy-droxy-2,2-dioxo-1H-2?(6),1-benzo-thia-zine-3-carboxyl-ate.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C13H13NO5S, in both of which the ester substituent is nearly coplanar [C-C-C-O torsion angles = 2.7?(7) and -0.8?(7)°] with the planar fragment of the bicycle due to the formation of a strong O-H?O intra-molecular hydrogen bond. The vinyl group at the ring N atom is approximately orthogonal to the heterocyclic mean plane [C-N-C-C torsion angles = 103.1?(6) and 98.2?(5)°]. The refinement was performed on a two-component, non-merohedrally twinned crystal [population ratio = 0.483?(3):0.517?(3).

SUBMITTER: Shishkina SV

PROVIDER: S-EPMC3884348 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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Methyl 1-allyl-4-hy-droxy-2,2-dioxo-1H-2λ(6),1-benzo-thia-zine-3-carboxyl-ate.

Shishkina Svitlana V SV Ukrainets Igor V IV Petrushova Lidiya A LA

Acta crystallographica. Section E, Structure reports online 20131023 Pt 11

There are two independent mol-ecules in the asymmetric unit of the title compound, C13H13NO5S, in both of which the ester substituent is nearly coplanar [C-C-C-O torsion angles = 2.7 (7) and -0.8 (7)°] with the planar fragment of the bicycle due to the formation of a strong O-H⋯O intra-molecular hydrogen bond. The vinyl group at the ring N atom is approximately orthogonal to the heterocyclic mean plane [C-N-C-C torsion angles = 103.1 (6) and 98.2 (5)°]. The refinement was performed on a two-comp ...[more]

PMID: 24454124

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