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      Mol­ecular and crystal structure of 5,9-dimethyl-5 H-pyrano[3,2- c:5,6- c′]bis­[2,1-benzo­thia­zin]-7(9 H)-one 6,6,8,8-tetroxide di­methyl­formamide monosolvate

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          Abstract

          The benzo­thia­zine skeleton is not planar, with a maximum deviation of 0.3154 (11) Å from the least-squares plane. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1.

          Abstract

          The title mol­ecule crystallizes as a di­methyl­formamide monosolvate, C 19H 14N 2O 6S 2·C 3H 7NO. The mol­ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo­thia­zine ring lead to point group symmetry 1. In the crystal, mol­ecules 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 inter­mediate di­methyl­formamide solvent mol­ecules by C—H⋯O inter­actions.

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          Mercury: visualization and analysis of crystal structures

          Clare Macrae, Paul R. Edgington, Patrick McCabe … (2006)
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            publCIF: software for editing, validating and formatting crystallographic information files

            Simon Westrip (2010)
            publCIFis an application designed for creating, editing and validating crystallographic information files (CIFs) that are used in journal publication. It validates syntax and dictionary-defined data attributes through internal routines, and also provides a web interface to thecheckCIFservice of the International Union of Crystallography (IUCr), which provides a full crystallographic analysis of the structural data. The graphical interface allows users to edit the CIF either in its `raw' ASCII form (using a text editor with context-sensitive data validation and input facilities) or as a formatted representation of a structure report (using a word-processing environment), as well asviaa number of convenience tools (e.g.spreadsheet representations of looped data). Beyond file and data validation,publCIFprovides access to resources to facilitate preparation of a structure report (e.g.databases of author details, experimental data, standard referencesetc., either distributed with the program or collected during its use), along with tools for reference parsing, spell checking, structure visualization and image management.publCIFwas commissioned by the IUCr, both as free software for authors and as a tool for in-house journal production; the tool for authors is described here. Binary distributions for Linux, MacOS and Windows operating systems are available.
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              2 1-Benzothiazine 2 2-Dioxides 3* 4-Hydroxy-1-Methyl-2 2-Dioxo-N-(1 3-Thiazol-2-yl)-1Н-2λ6 1-Benzothiazine-3-Carboxamides - a New Group of Potential Analgetics

              I. V. Ukrainets, L. Petrushova, E. P. Dzyubenko … (2014)
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                Author and article information

                Journal
                Journal ID (nlm-ta): Acta Crystallogr E Crystallogr Commun
                Journal ID (iso-abbrev): Acta Crystallogr E Crystallogr Commun
                Journal ID (publisher-id): Acta Cryst. E
                Title: Acta Crystallographica Section E: Crystallographic Communications
                Publisher: International Union of Crystallography
                ISSN (Electronic): 2056-9890
                Publication date Collection: 01 July 2019
                Publication date (Electronic): 28 June 2019
                Publication date PMC-release: 28 June 2019
                Volume: 75
                Issue: Pt 7 ( publisher-idID: e190700 )
                Pages: 1076-1078
                Affiliations
                [a ]V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv 61077, Ukraine
                [b ]SSI "Institute for Single Crystals", National Academy of Sciences of Ukraine , 60, Nauky Ave., Kharkiv 61001, Ukraine
                [c ] National University of Pharmacy , 4 Valentynivska St., Kharkiv 61168, Ukraine
                [d ] Far Eastern State Medical University , 35 Murav’eva-Amurskogo St., Khabarovsk, 680000, Russian Federation
                Author notes
                Correspondence e-mail: rybalka19969@ 123456gmail.com
                Author information
                https://orcid.org/0000-0002-7833-7418
                https://orcid.org/0000-0002-3946-1061
                https://orcid.org/0000-0002-7302-4922
                https://orcid.org/0000-0001-8431-8398
                Article
                Publisher ID: wm5508 Coden ID: ACSECI Publisher Item ID: S2056989019008788
                DOI: 10.1107/S2056989019008788
                PMC ID: 6659341
                SO-VID: 06330104-b4d3-4132-9b46-1005a185eb8a
                Copyright © © Rybalka et al. 2019
                License:

                This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

                History
                Date received : 22 May 2019
                Date accepted : 20 June 2019
                Page count
                Pages: 3
                Categories
                Subject: Research Communications

                Keywords: benzo­thia­zine derivative,mol­ecular structure,π-stacking dimer,crystal structure
                Data availability:
                Keywords: benzo­thia­zine derivative, mol­ecular structure, π-stacking dimer, crystal structure

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