Mol-ecular and crystal structure of 5,9-dimethyl-5 H-pyrano[3,2- c:5,6- c']bis-[2,1-benzo-thia-zin]-7(9 H)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate

Andrii Rybalka; Svitlana Shishkina; Igor Ukrainets; Lyudmila Sidorenko; Galina Sim

doi:10.1107/S2056989019008788

Mol-ecular and crystal structure of 5,9-dimethyl-5 H-pyrano[3,2- c:5,6- c']bis-[2,1-benzo-thia-zin]-7(9 H)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate

Acta Crystallogr E Crystallogr Commun. 2019 Jun 28;75(Pt 7):1076-1078. doi: 10.1107/S2056989019008788. eCollection 2019 Jul 1.

Authors

Andrii Rybalka¹, Svitlana Shishkina², Igor Ukrainets³, Lyudmila Sidorenko³, Galina Sim⁴

Affiliations

¹ V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv 61077, Ukraine.
² SSI "Institute for Single Crystals", National Academy of Sciences of Ukraine, 60, Nauky Ave., Kharkiv 61001, Ukraine.
³ National University of Pharmacy, 4 Valentynivska St., Kharkiv 61168, Ukraine.
⁴ Far Eastern State Medical University, 35 Murav'eva-Amurskogo St., Khabarovsk, 680000, Russian Federation.

Abstract

The title mol-ecule crystallizes as a di-methyl-formamide monosolvate, C₁₉H₁₄N₂O₆S₂·C₃H₇NO. The mol-ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo-thia-zine ring lead to point group symmetry 1. In the crystal, mol-ecules form two types of stacking dimers with distances of 3.464 (2) Å and 3.528 (2) Å between π-systems. As a result, columns extending parallel to [100] are formed, which are connected to inter-mediate di-methyl-formamide solvent mol-ecules by C-H⋯O inter-actions.

Keywords: benzothiazine derivative; crystal structure; molecular structure; π-stacking dimer.