Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies
Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.; CrystEngComm 18 (2016) 4818–; doi:10.1039/C6CE00931J

data_7225207
_publ_section_title
;
 Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal
 structures, formation thermodynamics and lattice energies
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              4818
_journal_paper_doi               10.1039/C6CE00931J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C18 H14 F4 N2 O4 S, C7 H7 N O'
_chemical_formula_sum            'C25 H21 F4 N3 O5 S'
_chemical_formula_weight         551.51
_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'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-04-15 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;
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_cell_measurement_temperature    150(2)
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_cell_volume                     1175.7(4)
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_diffrn_measurement_device_type  'Bruker X8-APEXII CCD'
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_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^)+2.6631P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2925
_reflns_number_total             4022
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           BIC_BZA
_cod_depositor_comments
'Adding full bibliography for 7225207--7225208.cif.'
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