Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions
Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher; Acta Crystallographica Section B 63 (2007) 101–110; doi:10.1107/S0108768106041358

data_2102760
_publ_section_title
;
 Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines,
 including three polymorphs of
 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded
 supramolecular structures in two and three dimensions
;
_journal_coeditor_code           WS5049
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              101
_journal_page_last               110
_journal_paper_doi               10.1107/S0108768106041358
_journal_volume                  63
_journal_year                    2007
_chemical_formula_moiety         'C12 H9 Cl N4 O3'
_chemical_formula_sum            'C12 H9 Cl N4 O3'
_chemical_formula_weight         292.68
_chemical_name_systematic
;
1-(2-chloronicotinoyl)-2-(4-nitrophenyl)hydrazine
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 94.095(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.58110(10)
_cell_length_b                   24.8913(13)
_cell_length_c                   11.2782(6)
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_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      3.27
_cell_volume                     1282.76(10)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997) & COLLECT'
_computing_data_collection       'COLLECT (Hooft, 1999)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 and PRPKAPPA (Ferguson, 1999)'
_computing_structure_refinement  'OSCAIL and SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'OSCAIL (McArdle, 2003) and SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on \k goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  graphite
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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'w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+0.3107P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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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_cell_volume        1282.77(10)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2102760