Polymorphism in some new bis-hydrazone compounds
Dwivedi, Bhavna; Das, Dinabandhu; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S2053229618014286

data_2021346
_publ_section_title
;
 Polymorphism in some new bis-hydrazone compounds
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618014286
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C30 H22 Cl4 N4'
_chemical_formula_moiety         'C30 H22 Cl4 N4'
_chemical_formula_sum            'C30 H22 Cl4 N4'
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_chemical_name_systematic
;
Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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SAINT (Bruker, 2012)
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APEX3 (Bruker, 2012)
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SAINT (Bruker, 2012)
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X-SEED (Barbour, 2001)
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SHELXL2016 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
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_diffrn_ambient_temperature      100(2)
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_diffrn_source                   microfocus
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;
(SADABS; Bruker, 2012)
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_exptl_crystal_colour            yellow
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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
;
SHELXL2016 (Sheldrick, 2015)
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0316
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0314P)^2^+0.3487P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            uk3160sup1.cif
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_cod_database_fobs_code          2021346
_shelx_estimated_absorpt_t_min   0.859
_shelx_estimated_absorpt_t_max   0.948
_shelx_hkl_checksum              98048
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