A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat
Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel; CrystEngComm 14 (2012) 362–; doi:10.1039/c1ce05799e

data_7206991
_publ_section_title
;
 A cocrystal is the key intermediates for the production of a new
 polymorph of Vorinostat
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              362
_journal_paper_doi               10.1039/c1ce05799e
_journal_volume                  14
_journal_year                    2012
_chemical_formula_iupac          'C14 H20 N2 O3'
_chemical_formula_moiety         'C14 H20 N2 O3'
_chemical_formula_structural     'C14 H20 N2 O3'
_chemical_formula_sum            'C14 H20 N2 O3'
_chemical_formula_weight         264.32
_chemical_name_common            'suberoylanilide hydroxamic acid'
_chemical_name_systematic
;
suberoylanilide hydroxamic acid
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.5220(12)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   19.3146(4)
_cell_length_b                   8.46572(7)
_cell_length_c                   8.94208(10)
_cell_measurement_temperature    295
_cell_volume                     1457.59(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'PANalytical X'Pert PRO MPD'
_diffrn_radiation_monochromator  'elliptic x-ray mirror'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    0.694
_exptl_crystal_density_diffrn    1.20432
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013003
_pd_meas_2theta_range_max        69.98400
_pd_meas_2theta_range_min        7.01200
_pd_meas_number_of_points        4845
_pd_proc_2theta_range_inc        0.013003
_pd_proc_2theta_range_max        69.9815
_pd_proc_2theta_range_min        7.0095
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.1669
_pd_proc_ls_prof_wR_expected     1.1415
_pd_proc_ls_prof_wR_factor       4.6144
_pd_proc_wavelength              1.540600
_pd_spec_mounting                ' ?'
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     134
_refine_ls_number_reflns         1586
_refine_ls_number_restraints     106
_refine_ls_R_I_factor            2.8322
_refine_ls_shift/su_max          0.1
_cod_data_source_file            c1ce05799e.txt
_cod_data_source_block           a-voronistat2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_diffrn_source_target' value 'Cu ' changed to 'Cu'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1457.59(3)
_cod_database_code               7206991
_pd_proc_ls_prof_cr_factor       8.0295
_pd_proc_ls_prof_cwr_factor      8.6928
_pd_proc_ls_prof_cwr_expected    2.1504
_pd_proc_ls_prof_chi2            16.3411
_pd_proc_ls_prof_echi2           16.7342