Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH
Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime; RSC Advances 15 (2025) 2078–2085; doi:10.1039/D4RA06345G

data_7249823
_publ_section_title
;
 Isomerization of pirazolopyrimidines to pyrazolopyridines by
 ring-opening/closing reaction in aqueous NaOH
;
_journal_issue                   3
_journal_name_full               'RSC Advances'
_journal_page_first              2078
_journal_page_last               2085
_journal_paper_doi               10.1039/D4RA06345G
_journal_volume                  15
_journal_year                    2025
_chemical_formula_moiety         'C22 H15 Cl2 N3 O'
_chemical_formula_sum            'C22 H15 Cl2 N3 O'
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;
2024-05-27 deposited with the CCDC.	2025-01-10 downloaded from the CCDC.
;
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'SuperNova (Cu) micro-focus sealed X-ray Source'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.454
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0617P)^2^+0.2378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        1865.4(3)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.532
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_shelx_res_checksum              25866