Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants
Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain; Acta Crystallographica Section C 68 (2012) o475–o480; doi:10.1107/S0108270112040759

data_2018655
_publ_section_title
;
 Three novel benzothiazine-fused triazoles as potential centrally acting
 muscle relaxants
;
_journal_coeditor_code           SF3180
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o475
_journal_page_last               o480
_journal_paper_doi               10.1107/S0108270112040759
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C9 H7 N3 O S'
_chemical_formula_moiety         'C9 H7 N3 O S'
_chemical_formula_sum            'C9 H7 N3 O S'
_chemical_formula_weight         205.24
_chemical_name_systematic
;
4<i>H</i>-1,2,4-Triazolo[3,4-<i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one
;
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_cell_measurement_temperature    294(2)
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_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
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_diffrn_reflns_limit_l_min       -33
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_exptl_absorpt_correction_type   none
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_diff_density_min         -0.184
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_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0472P)^2^+1.2353P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_database_fobs_code          2018655