(2<i>E</i>)-3-(2-Chlorophenyl)-1-[1'-(2-chlorophenyl)indoline-3-spiro-3'-perhydropyrrolo[1,2-<i>a</i>]indol-2'-yl]prop-2-en-1-one
P. Ramesh; S. Murugavel; A. Subbiah Pandi; Ramalingam Murugan; S. Sriman Narayanan; Acta Crystallographica Section E 63 (2007) o4851–o4851; doi:10.1107/S1600536807059661

data_2216318
_publ_section_title
(2<i>E</i>)-3-(2-Chlorophenyl)-1-[1'-(2-chlorophenyl)indoline-3-spiro-3'-perhydropyrrolo[1,2-<i>a</i>]indol-2'-yl]prop-2-en-1-one
_journal_coeditor_code           BT2616
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4851
_journal_page_last               o4851
_journal_paper_doi               10.1107/S1600536807059661
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C33 H30 Cl2 N2 O2'
_chemical_formula_moiety         'C33 H30 Cl2 N2 O2'
_chemical_formula_sum            'C33 H30 Cl2 N2 O2'
_chemical_formula_weight         557.49
_chemical_name_common
;
(2E)-4-(2-chlorophenyl)-1-[(spiro-3'-indolino)-1-(2-
chlorophenyl)decahydro-1H-pyrrolo[1,2-a]indol-2-yl]but-2-en-1-one
;
_chemical_name_systematic
;
(2E)-3-(2-Chlorophenyl)-1-[1'-(2-chlorophenyl)indoline-3-spiro-3'-
perhydropyrrolo[1,2-<i>a</i>]indol-2'-yl]prop-2-en-1-one
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.912(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.8293(16)
_cell_length_b                   9.6387(6)
_cell_length_c                   24.0094(17)
_cell_measurement_reflns_used    10569
_cell_measurement_temperature    293(2)
_cell_volume                     5642.1(6)
_computing_cell_refinement       'APEX2 (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 1997) and  PLATON  (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Bruker APEXII CCD area-detector diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            35182
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.88
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.264
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS;  Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.600
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         8131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0809P)^2^+3.0845P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1404
_refine_ls_wR_factor_ref         0.1642
_reflns_number_gt                5246
_reflns_number_total             8131
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2616.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2216318
_cod_database_fobs_code          2216318