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
Reference Type | Journal (article/letter/editorial) | ||
---|---|---|---|
Title | Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants | ||
Journal | Acta Crystallographica Section C Crystal Structure Communications | ||
Authors | Ravikumar, Krishnan | Author | |
Sridhar, Balasubramanian | Author | ||
Hariharakrishnan, Venkatasubramanian | Author | ||
Singh, Awadesh Narain | Author | ||
Year | 2012 (November 15) | Volume | 68 |
Issue | 11 | ||
Publisher | International Union of Crystallography (IUCr) | ||
DOI | doi:10.1107/s0108270112040759Search in ResearchGate | ||
Generate Citation Formats | |||
Mindat Ref. ID | 191526 | Long-form Identifier | mindat:1:5:191526:0 |
GUID | 0 | ||
Full Reference | 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 | ||
Plain Text | 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 | ||
In | (2012, November) Acta Crystallographica Section C Crystal Structure Communications Vol. 68 (11) International Union of Crystallography (IUCr) | ||
Abstract/Notes | The 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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