5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon
Trilleras, Jorge; Ramos, Juan; Cobo, Justo; Glidewell, Christopher; Acta Crystallographica Section C 69 (2013) 1043–1046; doi:10.1107/S0108270113020465

data_2019142
_publ_section_title
;
 5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]:
 an unusual molecular geometry within a hydrogen-bonded molecular ribbon
;
_journal_coeditor_code           UK3079
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1043
_journal_page_last               1046
_journal_paper_doi               10.1107/S0108270113020465
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C13 H18 N6 O2 S2'
_chemical_formula_moiety         'C13 H18 N6 O2 S2'
_chemical_formula_sum            'C13 H18 N6 O2 S2'
_chemical_formula_weight         354.47
_chemical_name_common
;
Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane
;
_chemical_name_systematic
;
5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]
;
_space_group_IT_number           15
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_cell_angle_beta                 133.61(2)
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_computing_cell_refinement
'<i>DIRAX</i>/<i>LSQ</i> (Duisenberg <i>et al.</i>, 2000)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'EVALCCD (Duisenberg <i>et al.</i>, 2003)'
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_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
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_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method       '\f & \w scans'
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_exptl_crystal_description       block
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_refine_diff_density_min         -0.469
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_refine_ls_shift/su_mean         0.000
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'w=1/[\s^2^(Fo^2^)+(0.0598P)^2^+1.8314P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               2019142
_cod_database_fobs_code          2019142