Synthesis and crystal structure of (E)-3-tert-butyl-N-[(2-nitrophenyl)methylidene]-1-phenyl-1H-pyrazol-5-amine: a coplanar Schiff base with enhanced π-stacking interactions.
Cuenú-Cabezas, Fernando; Bernal, Mayra C Diaz; Castaño, Jovanny A Gómez; Acta crystallographica. Section C, Structural chemistry 81 (2025) –; doi:10.1107/S2053229625004334

data_2312859
_publ_section_title
;
 Synthesis and crystal structure of
 (E)-3-tert-butyl-N-[(2-nitrophenyl)methylidene]-1-phenyl-1H-pyrazol-5-amine:
 a coplanar Schiff base with enhanced &#x3c0;-stacking interactions.
;
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'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229625004334
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          'C20 H20 N4 O2'
_chemical_formula_moiety         'C20 H20 N4 O2'
_chemical_formula_sum            'C20 H20 N4 O2'
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_chemical_name_systematic
(<i>E</i>)-3-<i>tert</i>-Butyl-<i>N</i>-[(2-nitrophenyl)methylidene]-1-phenyl-1<i>H</i>-pyrazol-5-amine
_space_group_crystal_system      monoclinic
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CrysAlis PRO (Rigaku OD, 2015)
;
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CrysAlis PRO (Rigaku OD, 2015)
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CrysAlis PRO (Rigaku OD, 2015)
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OLEX2 (Dolomanov <i>et al.</i>, 2009) and
<i>Mercury</i> (Macrae <i>et al.</i>, 2020)
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OLEX2 (Dolomanov <i>et al.</i>, 2009)
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SHELXL2019 (Sheldrick, 2015<i>b</i>)
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SHELXT (Sheldrick, 2015<i>a</i>)
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'Oxford Diffraction Xcalibur Nova source diffractometer with an Atlas detector'
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Olex2 1.2
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SHELXL2019 (Sheldrick, 2015<i>b</i>)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0495P)^2^+3.1575P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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