Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines
Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher; Acta Crystallographica Section C 63 (2007) o462–o467; doi:10.1107/S0108270107029447

data_2016115
_publ_section_title
;
 Cyclic and acyclic products from the reactions between methyl
 3-oxobutanoate and arylhydrazines
;
_journal_coeditor_code           SK3141
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o462
_journal_page_last               o467
_journal_paper_doi               10.1107/S0108270107029447
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C13 H13 N3 O3'
_chemical_formula_moiety         'C13 H13 N3 O3'
_chemical_formula_sum            'C13 H13 N3 O3'
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_chemical_name_systematic
;
4-isopropylidene-3-methyl-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one
;
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_cell_angle_beta                 100.415(3)
_cell_angle_gamma                90.00
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_cell_measurement_temperature    120(2)
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_cell_volume                     1198.17(10)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997) and COLLECT'
_computing_data_collection       'COLLECT (Hooft, 1999)'
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'OSCAIL (McArdle, 2003) and SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
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_exptl_crystal_colour            red
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'w=1/[\s^2^(Fo^2^)+(0.0789P)^2^+0.7324P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2016115
_cod_database_fobs_code          2016115