A new crystal form and antimicrobial activity of (<i>E</i>)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone
Moussa Slimane, Nabila; Bouhidel, Zakaria; Cherouana, Aouatef; Acta Crystallographica Section E 74 (2018) 884–888; doi:10.1107/S205698901800806X

data_2242521
_publ_section_title
;
 A new crystal form and antimicrobial activity of
 (<i>E</i>)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone
;
_journal_coeditor_code           XU5925
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              884
_journal_page_last               888
_journal_paper_doi               10.1107/S205698901800806X
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C15 H13 N O2'
_chemical_formula_moiety         'C15 H13 N O2'
_chemical_formula_sum            'C15 H13 N O2'
_chemical_formula_weight         239.26
_chemical_name_systematic
;
(<i>E</i>)-1-[3-(2-Hydroxybenzylideneamino)phenyl]ethanone
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8637(3)
_cell_length_b                   14.6601(10)
_cell_length_c                   16.6512(9)
_cell_measurement_reflns_used    10738
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      77.020
_cell_measurement_theta_min      4.018
_cell_volume                     1187.27(13)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR2004 (Burla <i>et al.</i>,  2005)
;
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       'Oxford Diffraction Xcalibur Sapphire2 CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10738
_diffrn_reflns_theta_full        77.020
_diffrn_reflns_theta_max         77.020
_diffrn_reflns_theta_min         4.018
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.966
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
(ABSORB; DeTitta, 1985)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.332
_refine_diff_density_min         -0.359
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 838 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   0.00(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         2461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0460
_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^)+(0.0633P)^2^+0.6475P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1148
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                2222
_reflns_number_total             2461
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xu5925sup1.cif
_cod_data_source_block           I
_cod_database_code               2242521
_cod_database_fobs_code          2242521
_shelx_hkl_checksum              94499
_shelx_res_checksum              27321