“On water” synthesis of N-unsubstituted pyrazoles: semicarbazide hydrochloride as an alternative to hydrazine for preparation of pyrazole-3-carboxylate derivatives and 3,5-disubstituted pyrazoles
Marković, Violeta; Joksović, Milan D.; Green Chem. 17 (2015) 842–; doi:10.1039/C4GC02028F

data_7219041
_publ_section_title
;
 &#x201C;On water&#x201D; synthesis of N-unsubstituted pyrazoles:
 semicarbazide hydrochloride as an alternative to hydrazine for
 preparation of pyrazole-3-carboxylate derivatives and 3,5-disubstituted
 pyrazoles
;
_journal_issue                   2
_journal_name_full               'Green Chem.'
_journal_page_first              842
_journal_paper_doi               10.1039/C4GC02028F
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C12 H11 F N2 O2'
_chemical_formula_sum            'C12 H11 F N2 O2'
_chemical_formula_weight         234.23
_chemical_name_systematic
' Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate'
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_computing_structure_solution    'SHELXT (Sheldrick, 2008)'
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_diffrn_measurement_device       '\k-geometry diffractometer'
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; Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm using CrysAlisPro 
(Agilent Technologies, 2013).
;
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_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0692P)^2^+0.1811P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1422
_reflns_number_gt                1927
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4gc02028f2.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 7219041.cif.'
_cod_original_cell_volume        1141.21(9)
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.92
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