C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric; Acta Crystallographica Section C 73 (2017) 2–8; doi:10.1107/S2053229616018702

data_2020686
_publ_section_title
;
 C---I&#x00B7;&#x00B7;&#x00B7;N and C---I&#x00B7;&#x00B7;&#x00B7;\p
 halogen bonding in the structures of 1-benzyliodoimidazole derivatives
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2
_journal_page_last               8
_journal_paper_doi               10.1107/S2053229616018702
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C14 H11 I N2'
_chemical_formula_sum            'C14 H11 I N2'
_chemical_formula_weight         334.15
_chemical_name_common
;
N-Benzyl-2-iodobenzimidazole
;
_chemical_name_systematic
;
1-Benzyl-2-iodo-1<i>H</i>-benzimidazole
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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;
SMART (Bruker, 2014)
;
_computing_data_collection
;
SMART (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
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XSEED (Barbour, 2001)
;
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XSEED (Barbour, 2001)
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SHELXL2014 (Sheldrick, 2015b)
;
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SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
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_diffrn_reflns_limit_l_min       -15
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       'cut irregular cube'
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0159
_refine_ls_R_factor_gt           0.0154
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0194P)^2^+0.3329P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 2020684--2020686.cif.'
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