Insight into the inhibitory potential of metal complexes supported by (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine: synthesis, structural properties, biological evaluation and docking studies.
Nayab, Saira; Jan, Kalsoom; Kim, Seung-Hyeon; Kim, Sa-Hyun; Shams, Dilawar Farhan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun; Dalton transactions (Cambridge, England : 2003) 53 (2024) 11295–11309; doi:10.1039/d4dt00362d

data_7716342
_publ_section_title
;
 Insight into the inhibitory potential of metal complexes supported by
 (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine:
 synthesis, structural properties, biological evaluation and docking
 studies.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11295
_journal_page_last               11309
_journal_paper_doi               10.1039/d4dt00362d
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C11 H16 Br2 Cd N2 O S, C H2 Cl2'
_chemical_formula_sum            'C12 H18 Br2 Cd Cl2 N2 O S'
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_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2024-01-26 deposited with the CCDC.	2024-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_data_reduction        'CrysAlisPro 1.171.42.99a (Rigaku OD, 2023)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'CPAD detector'
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_diffrn_source                   'Microfocus x-ray tube'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.105
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_refine_diff_density_max         0.475
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_refine_ls_extinction_coef       0.0080(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0193P)^2^+2.4308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0634
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3179
_reflns_number_total             3925
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00362d2.cif
_cod_data_source_block           P21c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' 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 7716340--7716342.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7716342
_shelx_shelxl_version_number     2019/3
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_shelx_res_checksum              2140