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Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia-diazin-4-yl)benzoate.

ABSTRACT: There are two mol-ecules, A and B, in the asymmetric unit of the title compound, C14H16N2O4S, which is the first example reported in this family of compounds in which the Nsp(3) atom of the thia-diazine ring is methyl-ated. The thia-diazine rings adopt shallow envelope conformations, with the S atoms displaced by 0.319 (12) and 0.182 (12) Å from the mean planes of the other ring atoms in mol-ecules A and B, respectively. The dihedral angles between the thia-diazine mean planes (excluding S) and the attached benzene rings are 86.8 (3) and 86.7 (3)° for mol-ecules A and B, respectively.

SUBMITTER: Bhatt N

PROVIDER: S-EPMC3588958 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ(6),2,6-thia-diazin-4-yl)benzoate.

Bhatt Nilay N Bhatt Pralav P Nimavat Kiran K Govender Thavendran T Kruger Hendrik G HG Maguire Glenn E M GE

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

There are two mol-ecules, A and B, in the asymmetric unit of the title compound, C14H16N2O4S, which is the first example reported in this family of compounds in which the Nsp(3) atom of the thia-diazine ring is methyl-ated. The thia-diazine rings adopt shallow envelope conformations, with the S atoms displaced by 0.319 (12) and 0.182 (12) Å from the mean planes of the other ring atoms in mol-ecules A and B, respectively. The dihedral angles between the thia-diazine mean planes (excluding S) and ...[more]

PMID: 23476194

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