Crystal structures of two substituted thiazolidine derivatives
Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan; Acta Crystallographica Section E 72 (2016) 1126–1129; doi:10.1107/S2056989016011336

data_2241777
_publ_section_title
;
 Crystal structures of two substituted thiazolidine derivatives
;
_journal_coeditor_code           BG2588
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1126
_journal_page_last               1129
_journal_paper_doi               10.1107/S2056989016011336
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'C31 H24 N2 O5 S'
_chemical_formula_moiety         'C31 H24 N2 O5 S'
_chemical_formula_sum            'C31 H24 N2 O5 S'
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_chemical_name_systematic
6'-(4-Methoxyphenyl)-6a'-nitro-6',6a',6b',7',9',11a'-hexahydro-2<i>H</i>-spiro[acenaphthylene-1,11'-chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazol]-2-one
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
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_cell_angle_gamma                95.4680(10)
_cell_formula_units_Z            2
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_cell_length_b                   11.6373(2)
_cell_length_c                   12.4095(3)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.003
_cell_volume                     1258.89(7)
_computing_cell_refinement
;
APEX2 (Bruker, 2008)
;
_computing_data_collection
;
APEX2 (Bruker, 2008)
;
_computing_data_reduction
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SAINT (Bruker, 2008)
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_computing_molecular_graphics
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ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
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SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009)
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_computing_structure_refinement
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SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII area-detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.428
_diffrn_reflns_theta_min         2.003
_exptl_absorpt_coefficient_mu    0.176
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.746
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_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2008)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -0.291
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_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0497P)^2^+0.3546P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1047
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_reflns_threshold_expression     'I > 2\s(I)'
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