A practical and cost-effective approach to polysubstituted pyrimidine derivatives via DBU mediated redox isomerization of propargyl alcohol and subsequent N–C–N fragment condensation
De, Rimpa; Sengupta, Utsav; Savarimuthu, Antony; Misra, Souvik; Nanda, Jayanta; Bera, Mrinal K.; New Journal of Chemistry 46 (2022) 10603–10610; doi:10.1039/D2NJ00586G

data_7061479
_publ_section_title
;
 A practical and cost-effective approach to polysubstituted pyrimidine
 derivatives via DBU mediated redox isomerization of propargyl alcohol and
 subsequent N--C--N fragment condensation
;
_journal_issue                   22
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10603
_journal_page_last               10610
_journal_paper_doi               10.1039/D2NJ00586G
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C33 H22 N2'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-06-02 deposited with the CCDC.	2022-05-02 downloaded from the CCDC.
;
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_cell_measurement_temperature    297(2)
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_cell_measurement_theta_min      2.8
_cell_volume                     1109(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297(2)
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                3031
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj00586g2.cif
_cod_data_source_block           MKB_PM_16_XRD_0m_a
_cod_depositor_comments
;
          Adding full bibliography for 7061479.cif.

2025-01-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C H N'
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