2-Naphthylmethyl <i>N</i>-(3-pyridylmethylene)hydrazinecarbodithioate
How, Fiona N. F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir; Acta Crystallographica Section E 63 (2007) o3133–o3134; doi:10.1107/S1600536807025676

data_2214295
_publ_section_title
;
 2-Naphthylmethyl <i>N</i>-(3-pyridylmethylene)hydrazinecarbodithioate
;
_journal_coeditor_code           LH2397
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3133
_journal_page_last               o3134
_journal_paper_doi               10.1107/S1600536807025676
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C18 H15 N3 S2'
_chemical_formula_moiety         'C18 H15 N3 S2'
_chemical_formula_sum            'C18 H15 N3 S2'
_chemical_formula_weight         337.47
_chemical_name_systematic
;
2-Naphthylmethyl N-(3-pyridylmethylene)hydrazinecarbodithioate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
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_cell_angle_beta                 104.2903(12)
_cell_angle_gamma                90
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_cell_length_b                   7.8222(2)
_cell_length_c                   16.4471(4)
_cell_measurement_reflns_used    4600
_cell_measurement_temperature    150
_cell_measurement_theta_max      30
_cell_measurement_theta_min      5
_cell_volume                     1627.30(7)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2001).'
_computing_data_reduction        DENZO/SCALEPACK
_computing_molecular_graphics    'CAMERON (Watkin <i>et al.</i>,  1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Betteridge <i>et al.</i>,  2003)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
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_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_l_min       -22
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_exptl_absorpt_coefficient_mu    0.329
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.91
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO/SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.28
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_refine_diff_density_min         -0.62
_refine_ls_extinction_method     None
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_refine_ls_shift/su_max          0.000125
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Method= Modified Sheldrick
w=1/[\s^2^(F^2^) + ( 0.12P)^2^ + 5.11P]
,where P=(max(Fo^2^,0) + 2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
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