The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław; Acta Crystallographica Section C 77 (2021) 11–19; doi:10.1107/S2053229620015594

data_2022287
_publ_section_title
;
 The influence of the type of halogen substituent and its position on the
 molecular conformation, intermolecular interactions and crystal packing
 for a series of 1-benzoyl-3-(halogenophenyl)thioureas
;
_journal_coeditor_code           WP3011
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_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              11
_journal_page_last               19
_journal_paper_doi               10.1107/S2053229620015594
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          'C14 H11 I N2 O S'
_chemical_formula_moiety         'C14 H11 I N2 O S'
_chemical_formula_sum            'C14 H11 I N2 O S'
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_chemical_name_common            1-Benzoyl-3-<i>m</i>-iodophenylthiourea
_chemical_name_systematic
;
1-Benzoyl-3-(3-iodophenyl)thiourea
;
_space_group_crystal_system      monoclinic
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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X-AREA (Stoe & Cie, 2009)
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X-AREA (Stoe & Cie, 2009)
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X-RED32 (Stoe & Cie, 2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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SHELXT (Sheldrick, 2015<i>a</i>)
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;
[X-RED32 (Stoe & Cie, 2009), by Gaussian integration,
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Flack (1983), 2156 Friedel pairs
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'w=1/[\s^2^(Fo^2^)+(0.1066P)^2^+0.9908P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 2022286--2022290.cif.'
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