<small>DL</small>-Pheniramine Hydrogen Maleate
Parvez, M.; Rusiewicz, M.; Acta Crystallographica Section C 52 (1996) 83–85; doi:10.1107/S010827019501047X

data_2004382
_publ_contact_author
;
    Masood Parvez
    Department of Chemistry
    University of Calgary
    2500 University Drive NW
    Calgary
    Alberta
    Canada T2N 1N4
;
_publ_section_title
;
 <small>DL</small>-Pheniramine Hydrogen Maleate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              83
_journal_page_last               85
_journal_paper_doi               10.1107/S010827019501047X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_analytical     'C20 H24 N2 O4'
_chemical_formula_iupac          'C16 H21 N2 + , C4 H3 O4 -'
_chemical_formula_moiety         'C16 H21 N2, C4 H3 O4'
_chemical_formula_sum            'C20 H2 N O4'
_chemical_formula_weight         356.42
_chemical_name_common            '(dl)-Pheniramine hydrogen maleate'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   20.275(6)
_cell_length_b                   17.006(4)
_cell_length_c                   11.038(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      9.0
_cell_volume                     3806(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        TEXSAN
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      150
_diffrn_measurement_device       AFC6S
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3768
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        -0.6
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type
'empirical, \y scan (3 reflections) (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       prism
_exptl_crystal_F_000             1520.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.640
_refine_ls_hydrogen_treatment    'H atoms geometrically idealized'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         1349
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0690
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0690
_reflns_number_observed          1349
_reflns_number_total             3335
_reflns_observed_criterion       3.00
_cod_data_source_file            fg1077.cif
_cod_data_source_block           default
_cod_original_cell_volume        3805(2)
_cod_original_sg_symbol_H-M      'P b c a    '
_cod_database_code               2004382