Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density study
Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani; Acta Crystallographica Section B 70 (2014) 568–579; doi:10.1107/S205252061303388X

data_2105817
_publ_contact_author             'Kumaradhas Poomani'
_publ_section_title
;
 Intermolecular interactions, charge-density distribution and the
 electrostatic properties of pyrazinamide anti-TB drug molecule: an
 experimental and theoretical charge-density study
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
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_journal_page_last               579
_journal_paper_doi               10.1107/S205252061303388X
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C5 H5 N3 O'
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2014-02-04 # Formatted by IUCr publCIF

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SAINTPLUS (BRUKER-AXS)
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KAPPA APEX BRUKER-AXS
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SAINTPLUS (BRUKER-AXS)
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ORTEP (Farrugia, 1997)
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SHELX97 (Sheldrick, 2007)
XD2006 (Koritsanszky et al, 2006)
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     calc w2 = 1/[s^2^(Fo^2^)]
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