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_7250229
_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            'C28 H18 I4 N4'
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_audit_update_record
;
2021-11-22 deposited with the CCDC.	2025-04-08 downloaded from the CCDC.
;
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_cell_measurement_reflns_used    9902
_cell_measurement_temperature    100(2)
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.097
_exptl_crystal_description       Block
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_refine_ls_abs_structure_details
;
 Flack x determined using 2572 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.368(15)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.0411
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_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^)+(0.0111P)^2^+6.3942P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0495
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_reflns_Friedel_fraction_max     0.916
_reflns_number_gt                6198
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Iodo_unsolvated
_cod_depositor_comments
'Adding full bibliography for 7250229--7250245.cif.'
_cod_database_code               7250229
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.291
_shelx_estimated_absorpt_t_max   0.649
_shelx_res_checksum              56669