Topological analysis of electron density and the electrostatic properties of isoniazid: an experimental and theoretical study
Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani; Acta Crystallographica Section B 70 (2014) 331–341; doi:10.1107/S2052520613033209

data_2105797
_publ_contact_author             'Kumaradhas Poomani'
_publ_section_title
;
 Topological analysis of electron density and the electrostatic properties
 of isoniazid: an experimental and theoretical study
;
_journal_coeditor_code           GW5026
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              331
_journal_page_last               341
_journal_paper_doi               10.1107/S2052520613033209
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C6 H7 N3 O'
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;
2013-12-12 # 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)
PLATON (Spek, 2003)
XD2006 (Koritsanszky et al, 2006)
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SHELXL97 (Sheldrick, 2008)
XD2006 (Koritsanszky et al, 2006)
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_cod_depositor_comments
;
 Marking atom 'DUM0' as a dummy atom.

 Antanas Vaitkus,
 2017-02-20

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-20
;
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