Crystal structure of 1',1''-dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
Nagalakshmi, R.A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha; Acta Crystallographica Section E 71 (2015) o68–o69; doi:10.1107/S2056989014027698

data_2240353
_publ_section_title
;
 Crystal structure of
 1',1''-dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
;
_journal_coeditor_code           ZQ2230
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o68
_journal_page_last               o69
_journal_paper_doi               10.1107/S2056989014027698
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C30 H27 Cl N4 O'
_chemical_formula_moiety         'C30 H27 Cl N4 O'
_chemical_formula_sum            'C30 H27 Cl N4 O'
_chemical_formula_weight         495.00
_chemical_name_systematic
;1',1''-Dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>-
indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 116.847(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.4220(13)
_cell_length_b                   14.3498(9)
_cell_length_c                   17.2811(9)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31
_cell_measurement_theta_min      2
_cell_volume                     4960.9(5)
_computing_cell_refinement
;
SAINT (Bruker, 2004)
;
_computing_data_collection
;
APEX2 (Bruker, 2004)
;
_computing_data_reduction
;
SAINT (Bruker, 2004)
;
_computing_molecular_graphics
;
PLATON (Spek, 2009)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.845
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Kappa APEXII'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18093
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         23.815
_diffrn_reflns_theta_min         2.036
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.186
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_description       block
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3791
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0408
_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^)+(0.0520P)^2^+2.7359P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                2758
_reflns_number_total             3791
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2230sup1.cif
_cod_data_source_block           I
_cod_database_code               2240353
_cod_database_fobs_code          2240353
_shelx_hkl_checksum              49363
_shelx_res_checksum              20519
_shelxl_version_number           2014/6