Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine
Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.; Acta Crystallographica Section C 63 (2007) o518–o523; doi:10.1107/S0108270107034786

data_2016141
_publ_section_title
;
 Three polymorphs of 4-4'-diiodobenzalazine, and
 4-chloro-4'-iodobenzalazine
;
_journal_coeditor_code           GA3056
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o518
_journal_page_last               o523
_journal_paper_doi               10.1107/S0108270107034786
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C14 H10 I2 N2'
_chemical_formula_moiety         'C14 H10 I2 N2'
_chemical_formula_sum            'C14 H10 I2 N2'
_chemical_formula_weight         460.04
_chemical_name_systematic
;
4-iodobenzaldehyde azine
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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;
Bruker SMART 1K CCD area-detector diffractometer
;
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_diffrn_standards_decay_%        'less than 1'
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_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2003; Blessing, 1995)
;
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_R_factor_all          0.058
_refine_ls_R_factor_gt           0.031
_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^)+(0.028P)^2^] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     '>2\s(I) '
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_cod_original_sg_symbol_H-M      'P 21/n'
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_cod_database_fobs_code          2016141