Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives
Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu; CrystEngComm 27 (2025) 3247–3256; doi:10.1039/D5CE00242G

data_7250243
_publ_section_title
;
 Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              3247
_journal_page_last               3256
_journal_paper_doi               10.1039/D5CE00242G
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C24 H19 N5 O2'
_chemical_formula_weight         409.44
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-02-18 deposited with the CCDC.	2025-04-08 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Xseed-2017 (Barbour, 2017)'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.000
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_exptl_absorpt_correction_T_min  0.6949
_exptl_absorpt_correction_type   none
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_exptl_crystal_colour            'light yellow'
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_exptl_crystal_density_meas      ?
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.035
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_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0542
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+0.6893P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1381
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3509
_reflns_number_total             5014
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce00242g2.cif
_cod_data_source_block           FNBHB-I
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

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

 Adding full bibliography for 7250229--7250245.cif.
;
_cod_original_cell_volume        2005.7(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250243
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.985
_shelx_estimated_absorpt_t_max   0.992
_shelx_res_checksum              52641