Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea
Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina; Acta Crystallographica Section B 69 (2013) 70–76; doi:10.1107/S0108768112049324

data_2105329
_publ_section_title
;
 Thermodynamic and structural relationships between the two polymorphs of
 1,3-dimethylurea
;
_journal_coeditor_code           PS5022
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              70
_journal_page_last               76
_journal_paper_doi               10.1107/S0108768112049324
_journal_volume                  69
_journal_year                    2013
_chemical_formula_sum            'C3 H8 N2 O'
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_chemical_name_systematic
;
 1,3-dimethylurea
;
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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_computing_molecular_graphics    'Bruker XP'
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0386P)^2^+0.0474P] where P=(Fo^2^+2Fc^2^)/3'
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_database_code               2105329
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