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Ravikumar, Krishnan, Sridhar, Balasubramanian, Hariharakrishnan, Venkatasubramanian, Singh, Awadesh Narain (2012) Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants. Acta Crystallographica Section C Crystal Structure Communications, 68 (11) doi:10.1107/s0108270112040759

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Reference TypeJournal (article/letter/editorial)
TitleThree novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants
JournalActa Crystallographica Section C Crystal Structure Communications
AuthorsRavikumar, KrishnanAuthor
Sridhar, BalasubramanianAuthor
Hariharakrishnan, VenkatasubramanianAuthor
Singh, Awadesh NarainAuthor
Year2012 (November 15)Volume68
Issue11
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s0108270112040759Search in ResearchGate
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Mindat Ref. ID191526Long-form Identifiermindat:1:5:191526:0
GUID0
Full ReferenceRavikumar, Krishnan, Sridhar, Balasubramanian, Hariharakrishnan, Venkatasubramanian, Singh, Awadesh Narain (2012) Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants. Acta Crystallographica Section C Crystal Structure Communications, 68 (11) doi:10.1107/s0108270112040759
Plain TextRavikumar, Krishnan, Sridhar, Balasubramanian, Hariharakrishnan, Venkatasubramanian, Singh, Awadesh Narain (2012) Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants. Acta Crystallographica Section C Crystal Structure Communications, 68 (11) doi:10.1107/s0108270112040759
In(2012, November) Acta Crystallographica Section C Crystal Structure Communications Vol. 68 (11) International Union of Crystallography (IUCr)
Abstract/NotesThe structures of the novel triazolobenzothiazines 2,4-dihydro-1H-benzo[b][1,2,4]triazolo[4,3-d][1,4]thiazin-1-one (IDPH-791), C9H7N3OS, (I), a potential muscle relaxant, its benzoyl derivative, 2-(2-oxo-2-phenylethyl)-2,4-dihydro-1H-benzo[b][1,2,4]triazolo[4,3-d][1,4]thiazin-1-one, C20H17N3O4S, (II), and the β-keto ester derivative, ethyl 3-oxo-2-(1-oxo-2,4-dihydro-1H-benzo[b][1,2,4]triazolo[4,3-d][1,4]thiazin-2-yl)-3-phenylpropanoate, C17H13N3O2S, (III), are the first examples of benzothiazine-fused triazoles in the crystallographic literature. The heterocyclic thiazine rings in all three structures adopt a distorted half-chair conformation. Compound (III) exists in thetrans-β-diketo form. Other than N—H...O hydrogen bonds in (I) forming dimers, no formal intermolecular hydrogen bonds are involved in the crystal packing of any of the three structures, which is dominated by C—H...O/N and π–π stacking interactions.


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