<i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine
Akerman, Matthew P.; Chipangura, Mathias; Mambanda, Allen; Jaganyi, Deogratius; Acta Crystallographica Section E 68 (2012) o2194–o2195; doi:10.1107/S1600536812027572

data_2235536
_publ_section_title
;
 <i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine
;
_journal_coeditor_code           LD2063
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2194
_journal_page_last               o2195
_journal_paper_doi               10.1107/S1600536812027572
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C18 H23 N3'
_chemical_formula_moiety         'C18 H23 N3'
_chemical_formula_sum            'C18 H23 N3'
_chemical_formula_weight         281.39
_chemical_name_systematic
;
<i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.118(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.2272(2)
_cell_length_b                   18.1729(7)
_cell_length_c                   14.3213(5)
_cell_measurement_reflns_used    2134
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.1
_cell_measurement_theta_min      3.5
_cell_volume                     1584.58(10)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_molecular_graphics    'WinGX (Farrugia, 1999)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 2 CCD'
_diffrn_measurement_method       'omega scans at fixed theta angles'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_max         32.06
_diffrn_reflns_theta_min         3.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.9791
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       planar
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_exptl_crystal_size_max          0.60
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2134
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_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0530P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ld2063.cif
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_cod_original_cell_volume        1584.57(10)
_cod_original_sg_symbol_H-M      'C c'
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