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Mol-ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate.
Acta Crystallogr E Crystallogr Commun 2019; 75(Pt 7):1076-1078AC

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.

Authors+Show Affiliations

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

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31392028

Citation

Rybalka, Andrii, et al. "Mol-ecular and Crystal Structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one 6,6,8,8-tetroxide Di-methyl-formamide Monosolvate." Acta Crystallographica. Section E, Crystallographic Communications, vol. 75, no. Pt 7, 2019, pp. 1076-1078.
Rybalka A, Shishkina S, Ukrainets I, et al. Mol-ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate. Acta Crystallogr E Crystallogr Commun. 2019;75(Pt 7):1076-1078.
Rybalka, A., Shishkina, S., Ukrainets, I., Sidorenko, L., & Sim, G. (2019). Mol-ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate. Acta Crystallographica. Section E, Crystallographic Communications, 75(Pt 7), pp. 1076-1078. doi:10.1107/S2056989019008788.
Rybalka A, et al. Mol-ecular and Crystal Structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one 6,6,8,8-tetroxide Di-methyl-formamide Monosolvate. Acta Crystallogr E Crystallogr Commun. 2019 Jul 1;75(Pt 7):1076-1078. PubMed PMID: 31392028.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Mol-ecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate. AU - Rybalka,Andrii, AU - Shishkina,Svitlana, AU - Ukrainets,Igor, AU - Sidorenko,Lyudmila, AU - Sim,Galina, Y1 - 2019/06/28/ PY - 2019/05/22/received PY - 2019/06/20/accepted PY - 2019/8/9/entrez PY - 2019/8/9/pubmed PY - 2019/8/9/medline KW - benzo­thia­zine derivative KW - crystal structure KW - mol­ecular structure KW - π-stacking dimer SP - 1076 EP - 1078 JF - Acta crystallographica. Section E, Crystallographic communications JO - Acta Crystallogr E Crystallogr Commun VL - 75 IS - Pt 7 N2 - 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. SN - 2056-9890 UR - https://www.unboundmedicine.com/medline/citation/31392028/Mol-ecular_and_crystal_structure_of_5,9-dimethyl-5H-pyrano[3,2-c:5,6-c']bis-[2,1-benzo-thia-zin]-7(9H)-one_6,6,8,8-tetroxide_di-methyl-formamide_monosolvate L2 - https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/31392028/ DB - PRIME DP - Unbound Medicine ER -