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

Liliana Azotla-Cruz; Svitlana Shishkina; Igor Ukrainets; Irina Lijanova; Natalya Likhanova

doi:10.1107/S2056989016015978

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

Acta Crystallogr E Crystallogr Commun. 2016 Oct 14;72(Pt 11):1574-1576. doi: 10.1107/S2056989016015978. eCollection 2016 Nov 1.

Authors

Liliana Azotla-Cruz¹, Svitlana Shishkina², Igor Ukrainets³, Irina Lijanova¹, Natalya Likhanova⁴

Affiliations

¹ National Polytechnic Institute, CIITEC, Cerrada Cecati S/N, Colonia Santa Catarina de Azcapotzalco, CP 02250, Mexico, DF, Mexico.
² SSI 'Institute for Single Crystals', National Academy of Sciences of Ukraine, 60 Lenina Avenue, Kharkiv 61001, Ukraine.
³ National University of Pharmacy, 4 Blyukhera St., Kharkiv 61168, Ukraine.
⁴ Mexican Institute of Petroleum, Eje Central Lazaro Cardenas Norte 152, Col. San Bartolo Atepehuacan, 07730 Mexico, DF, Mexico.

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⋯π inter-actions forming chains propagating along the a-axis direction.

Keywords: C—H⋯π interactions; allyl; benzothiazine; crystal structure.