Information card for entry 7225394

Structure parameters

• Chemical name: (2S,4S)-4-amino-2-phenyl-3,4-dihydrobenzo[c][1,2]thiazine 2-oxide
• Formula: C14 H14 N2 O S
• Calculated formula: C14 H14 N2 O S
• SMILES: [S@@]1(=O)(=Nc2c([C@H](N)C1)cccc2)c1ccccc1
• Title of publication: Stereoselective synthesis of 4-aminobenzo[c][1,2]thiazine via a modification of the Harmata benzothiazine synthesis
• Authors of publication: Battula, Sivarama Krishna; G. V., Subbareddy; I. E., Chakravarthy; Saravanan, Vadivelu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.4373 ± 0.0006 Å
• b: 9.4766 ± 0.0006 Å
• c: 17.5593 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1237.59 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No