Synthesis of aminopyrazoles from sydnones and ynamides.
Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S; Organic & biomolecular chemistry 15 (2017) 1575–1579; doi:10.1039/c6ob02518h

data_7155471
_publ_section_title
;
 Synthesis of aminopyrazoles from sydnones and ynamides.
;
_journal_issue                   7
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1575
_journal_page_last               1579
_journal_paper_doi               10.1039/c6ob02518h
_journal_volume                  15
_journal_year                    2017
_chemical_formula_moiety         'C24 H20 F3 N3 O2 S'
_chemical_formula_sum            'C24 H20 F3 N3 O2 S'
_chemical_formula_weight         471.49
_chemical_name_systematic
N-benzyl-4-methyl-N-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)benzenesulfonamide
_space_group_crystal_system      triclinic
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_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-09 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      123(2)
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_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker D8 VENTURE with Photon100 detector'
_diffrn_measurement_method       'rotation in \f and \w, 1\%, shutterless'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11969
_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_source                   'INCOATEC microfocus sealed tube'
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_exptl_absorpt_correction_T_min  0.7816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2014)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       needles
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4112
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0436
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+0.7860P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0941
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3650
_reflns_number_total             4112
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ob02518h2.cif
_cod_data_source_block           sb873_hy
_cod_depositor_comments
'Adding full bibliography for 7155470--7155471.cif.'
_cod_database_code               7155471
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.711
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_shelx_res_checksum              92790