Structure of 3-(3,5-dimethylpiperidino)-<i>N</i>-(<i>p</i>-chlorophenyl)succinimide
Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Huipe-Nave, E.; Mendoza, V.; Acta Crystallographica Section C 49 (1993) 1536–1537; doi:10.1107/S0108270193001908

data_2001472
_publ_section_title
;
 Structure of
 3-(3,5-dimethylpiperidino)-<i>N</i>-(<i>p</i>-chlorophenyl)succinimide
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1536
_journal_page_last               1537
_journal_paper_doi               10.1107/S0108270193001908
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H21 Cl N2 O2'
_chemical_formula_weight         320.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 94.75(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.804(3)
_cell_length_b                   6.472(2)
_cell_length_c                   29.075(12)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    153
_cell_measurement_theta_max      13
_cell_measurement_theta_min      12
_cell_volume                     1651.0(10)
_diffrn_measurement_device       'Siemens P3/PC'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            6095
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        +-1.8
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.240
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       needles
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.29
_refine_ls_goodness_of_fit_obs   2.16
_refine_ls_hydrogen_treatment
'H atoms refined isotropically with fixed U~iso~ = 0.05 \%A^2^'
_refine_ls_number_parameters     262
_refine_ls_number_reflns         1176
_refine_ls_R_factor_obs          0.052
_refine_ls_shift/esd_max         0.333
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.064
_reflns_number_observed          1176
_reflns_number_total             5773
_reflns_observed_criterion       F>6.0\s(F)
_cod_data_source_file            vs1003.cif
_cod_data_source_block           vs1003_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1651.0(3)
_cod_original_formula_sum        'C17 H21 Cl1 N2 O2'
_cod_database_code               2001472