Does Chirality Influence the Tendency toward Cocrystal Formation?
George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom; Crystal Growth & Design 14 (2014) 2880–; doi:10.1021/cg500181t

data_4510874
_publ_section_title
;
 Does Chirality Influence the Tendency toward Cocrystal Formation?
;
_journal_issue                   6
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              2880
_journal_paper_doi               10.1021/cg500181t
_journal_volume                  14
_journal_year                    2014
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C8 H14 N2 O2, C7 H6 O4'
_chemical_formula_sum            'C15 H20 N2 O6'
_chemical_formula_weight         324.33
_chemical_name_common
'Etiracetam 2,4-dihydroxybenzoic acid cocrystal'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   6.60584(3)
_cell_length_b                   13.11919(7)
_cell_length_c                   18.80723(8)
_cell_measurement_temperature    295
_cell_volume                     1629.896(13)
_computing_molecular_graphics    'Mercury 3.0'
_computing_publication_material  'enCIFer 1.4'
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.775045
_diffrn_source                   synchrotron
_diffrn_source_type              SLS
_exptl_absorpt_coefficient_mu    0.124
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_description       powder
_exptl_crystal_F_000             688.0
_pd_char_colour                  colourless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.003800
_pd_meas_2theta_range_max        44.99960
_pd_meas_2theta_range_min        4.00140
_pd_meas_number_of_points        10790
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.003800
_pd_proc_2theta_range_max        45.0070
_pd_proc_2theta_range_min        4.0088
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.3282
_pd_proc_ls_prof_wR_expected     0.5210
_pd_proc_ls_prof_wR_factor       1.5296
_pd_proc_wavelength              0.775045
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   2.9361
_refine_ls_number_parameters     11
_refine_ls_number_reflns         1032
_refine_ls_number_restraints     115
_refine_ls_R_I_factor            12.3722
_refine_ls_shift/su_max          0.02
_cod_data_source_file            cg500181t_si_002.cif
_cod_data_source_block           LEVI-DHBA
_cod_depositor_comments
'Adding full bibliography for 4510871--4510880.cif.'
_cod_original_cell_volume        1629.897(14)
_cod_database_code               4510874
_pd_proc_ls_prof_cr_factor       17.0303
_pd_proc_ls_prof_cwr_factor      18.2195
_pd_proc_ls_prof_cwr_expected    6.2052
_pd_proc_ls_prof_chi2            8.6210
_pd_proc_ls_prof_echi2           8.7475