Copper(II) complexes with (<i>E</i>)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline and non-steroidal anti-inflammatory drugs: structure and biological evaluation.
Kakoulidou, Chrisoula; Hatzidimitriou, Antonios G.; Psomas, George; Dalton transactions (Cambridge, England : 2003) 54 (2025) 7115–7129; doi:10.1039/d5dt00435g

data_7718448
_publ_section_title
;
 Copper(II) complexes with
 (<i>E</i>)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline and
 non-steroidal anti-inflammatory drugs: structure and biological
 evaluation.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7115
_journal_page_last               7129
_journal_paper_doi               10.1039/d5dt00435g
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C31 H32 Cu1 N6 O4'
_chemical_formula_sum            'C31 H32 Cu N6 O4'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_update_record
;
2025-01-21 deposited with the CCDC.	2025-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
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_diffrn_measured_fraction_theta_full 0.997
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_diffrn_measurement_device       Area
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; 
 Analytical Absorption (De Meulenaer & Tompa, 1965) 
;
_exptl_crystal_colour            blue
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_diff_density_max         0.27
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_refine_ls_extinction_method     None
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_refine_ls_structure_factor_coef Fsqd
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;
 Method= Quasi-Unit weights 
 W = 1.0 or 1./4Fsq 
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2.0\s(I)
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_oxford_refine_ls_r_factor_ref   0.0408
_oxford_refine_ls_scale          0.10891(2)
_oxford_reflns_number_all        5543
_oxford_reflns_threshold_expression_ref I>2.0\s(I)
_cod_data_source_file            d5dt00435g2.cif
_cod_data_source_block           I_CCDC2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_primary' value 'Other' was changed to
'other' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7718446--7718449.cif.
;
_cod_original_cell_volume        2925.4(6)
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        'C31 H32 Cu1 N6 O4'
_cod_database_code               7718448