Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^}tellurium
Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.; Acta Crystallographica Section E 68 (2012) o214–; doi:10.1107/S1600536811054328

data_2233267
_publ_section_title
;
 Chlorido{2-[(dimethylamino)methyl]phenyl-\k^2^<i>N</i>,<i>C</i>^1^}tellurium
;
_journal_coeditor_code           PK2376
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o214
_journal_paper_doi               10.1107/S1600536811054328
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C9 H12 Cl N Te'
_chemical_formula_moiety         'C9 H12 Cl N Te'
_chemical_formula_sum            'C9 H12 Cl N Te'
_chemical_formula_weight         297.25
_chemical_name_common
;
{2-[(Dimethylamino)methyl]phenyl}tellurenyl chloride
;
_chemical_name_systematic
;
Chlorido{2-[(dimethylamino)methyl]phenyl-\k^2^<i>N</i>,<i>C</i>^1^}tellurium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.967(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.4514(6)
_cell_length_b                   7.0287(7)
_cell_length_c                   23.847(2)
_cell_measurement_reflns_used    3931
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      32.63
_cell_measurement_theta_min      5.06
_cell_volume                     1075.48(17)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2007)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2007)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Ruby Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            7778
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.71
_diffrn_reflns_theta_min         5.07
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.964
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2007)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular plate'
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.246
_refine_diff_density_min         -0.983
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     111
_refine_ls_number_reflns         3587
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.200
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0327P)^2^+1.2847P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.0961
_reflns_number_gt                2998
_reflns_number_total             3587
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pk2376.cif
_cod_data_source_block           I
_cod_original_cell_volume        1075.49(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2233267
_cod_database_fobs_code          2233267