1,1'-Methylenebis(naphthalen-2-amine) methanol solvate
Mahon, Andrew B.; Craig, Donald C.; Try, Andrew C.; Acta Crystallographica Section E 63 (2007) o4341–o4341; doi:10.1107/S1600536807050131

data_2215977
_publ_section_title
;
 1,1'-Methylenebis(naphthalen-2-amine) methanol solvate
;
_journal_coeditor_code           HG2306
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4341
_journal_page_last               o4341
_journal_paper_doi               10.1107/S1600536807050131
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C21 H18 N2, C H4 O'
_chemical_formula_moiety         'C21 H18 N2, C H4 O'
_chemical_formula_sum            'C22 H22 N2 O'
_chemical_formula_weight         330.4
_chemical_melting_point          445
_chemical_name_systematic
;
1,1'-Methylenebis(naphthalen-2-amine) methanol solvate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           37
_space_group_name_Hall           'C 2 -2c'
_space_group_name_H-M_alt        'C c c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.020(4)
_cell_length_b                   26.448(7)
_cell_length_c                   4.978(2)
_cell_measurement_reflns_used    11
_cell_measurement_temperature    294
_cell_measurement_theta_max      13
_cell_measurement_theta_min      11
_cell_volume                     1714.2(10)
_computing_cell_refinement
'CAD-4 Software (Schagen <i>et al.</i>,  1989)'
_computing_data_collection
'CAD-4 Software (Schagen <i>et al.</i>,  1989)'
_computing_data_reduction        'local program'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'local programs'
_computing_structure_refinement  'RAELS (Rae, 1996)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            851
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             704.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.34
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     118
_refine_ls_number_reflns         720
_refine_ls_R_factor_gt           0.049
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.065
_reflns_number_gt                720
_reflns_number_total             851
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2306.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2017-10-21

 Adding the _atom_type_symbol data item to the _atom_type loop.
 The values of the _atom_type_symbol data item were inferred from
 the _atom_site_type_symbol and _atom_site_label data items.

 Antanas Vaitkus,
 2017-01-11
;
_cod_original_cell_volume        1714.2(9)
_cod_database_code               2215977
_cod_database_fobs_code          2215977