Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac
Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep; Acta Crystallographica Section C 75 (2019) 388–397; doi:10.1107/S2053229619001827

data_2021535
_publ_section_title
;
 Synthesis, crystal structures and characterizations of three new
 copper(II) complexes including anti-inflammatory diclofenac
;
_journal_coeditor_code           QF3021
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              388
_journal_page_last               397
_journal_paper_doi               10.1107/S2053229619001827
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Cu (C14 H10 Cl2 N1 O2)2 (C3 H4 N2)2]'
_chemical_formula_moiety         'C34 H28 Cl4 Cu N6 O4'
_chemical_formula_sum            'C34 H28 Cl4 Cu N6 O4'
_chemical_formula_weight         789.96
_chemical_name_systematic
Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-\k^2^<i>O</i>,<i>O</i>'}bis(1<i>H</i>-imidazole-\k<i>N</i>^3^)copper(II)
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90
_cell_angle_beta                 96.277(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   7.5494(5)
_cell_length_c                   31.071(2)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.87
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_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2002)
;
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;
X-RED32 (Stoe & Cie, 2002)
;
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;
ORTEP-3 for Windows (Farrugia, 2012)
;
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WinGX (Farrugia, 2012) and PLATON (Spek, 2009)
;
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;
SHELXL (Sheldrick, 2015a)
;
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;
SHELXT (Sheldrick, 2015b)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'image plate (34 cm diameter)'
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_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1070
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_l_min       -37
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'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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_exptl_absorpt_coefficient_mu    0.958
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_exptl_absorpt_process_details
;
(X-RED32; Stoe & Cie, 2002)
;
_exptl_crystal_colour            purple
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_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.293
_exptl_crystal_size_min          0.240
_refine_diff_density_max         0.367
_refine_diff_density_min         -0.748
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0621
_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^)+(0.1024P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1852
_reflns_number_gt                2070
_reflns_number_total             3220
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 2021533--2021535.cif.'
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_cod_database_fobs_code          2021535
_shelx_hkl_checksum              98334
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