Novel 5-chloro-pyrazole derivatives containing a phenylhydrazone moiety as potent antifungal agents: synthesis, crystal structure, biological evaluation and a 3D-QSAR study
Jiao, Jian; Wang, An; Chen, Min; Wang, Meng-Qi; Yang, Chun-Long; New Journal of Chemistry 43 (2019) 6350–; doi:10.1039/C9NJ00574A

data_7058265
_publ_section_title
;
 Novel 5-chloro-pyrazole derivatives containing a phenylhydrazone moiety
 as potent antifungal agents: synthesis, crystal structure, biological
 evaluation and a 3D-QSAR study
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6350
_journal_paper_doi               10.1039/C9NJ00574A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C12 H10 Cl F3 N4'
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_chemical_name_systematic
(E)-5-chloro-1-methyl-4-((2-phenylhydrazono)methyl)-3-(trifluoromethyl)-1H-pyrazole
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;
2018-06-04 deposited with the CCDC.    2019-03-26 downloaded from the CCDC.
;
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;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0532P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3400
_reflns_number_total             5302
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           JJ0525-1
_cod_depositor_comments          'Adding full bibliography for 7058265.cif.'
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_oxdiff_exptl_absorpt_empirical_full_min 0.780
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_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              31786