Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole
Orben, Claudia M.; Dittrich, Birger; Acta Crystallographica Section C 70 (2014) 580–583; doi:10.1107/S2053229614010195

data_2019557
_publ_section_title
;
 Hydrogen ADPs with Cu <i>K</i>\a data? Invariom and Hirshfeld atom
 modelling of fluconazole
;
_journal_coeditor_code           GZ3261
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              580
_journal_page_last               583
_journal_paper_doi               10.1107/S2053229614010195
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C13 H12 F2 N6 O, H2 O'
_chemical_formula_moiety         'C13 H12 F2 N6 O, H2 O'
_chemical_formula_sum            'C13 H14 F2 N6 O2'
_chemical_formula_weight         324.29
_chemical_name_common            fluconazole
_chemical_name_systematic
;
2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol
monohydrate
;
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'PLATON (Spek, 2009) and <i>ORTEPIII</i> (Burnett & Johnson, 1996)'
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_diffrn_radiation_monochromator  'INCOATEC optics'
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'Adding full bibliography for 2019555--2019559.cif.'
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