Crystal structure of (4-methyl-pyridin-2-yl)-(2,4,6-trimethyl-phenyl)- amine, C~15~H~18~N~2~
Glatz, Germund; Irrgang, Torsten; Kempe, Rhett; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 265–266; doi:

data_8102146
_publ_section_title
;
Crystal structure of (4-methyl-pyridin-2-yl)-(2,4,6-trimethyl-phenyl)-
amine, C~15~H~18~N~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              265
_journal_page_last               266
_journal_volume                  222
_journal_year                    2007
_chemical_formula_sum            'C15 H18 N2'
_chemical_formula_weight         226.31
_chemical_name_systematic
;
(4-methyl-pyridin-2-yl)-(2,4,6-trimethyl-phenyl)-amine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.418(9)
_cell_angle_beta                 73.391(9)
_cell_angle_gamma                84.103(9)
_cell_formula_units_Z            2
_cell_length_a                   7.6360(9)
_cell_length_b                   8.0350(9)
_cell_length_c                   11.2080(13)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    173(2)
_cell_volume                     646.85(13)
_computing_data_collection       X-AREA-STOE
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8710
_diffrn_reflns_theta_full        25.67
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             244
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.178
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         2447
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0708P)^2^+0.1050P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1265
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                2026
_reflns_number_total             2447
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2036.cff
_cod_data_source_block           k437a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102146
_cell_measurement_2theta_min     3.84
_cell_measurement_2theta_max     52.18