Crystal structure of (Z)-2-amino-3-[(E)-2-(benzyloxy)-4-(diethylamino)-benzylideneamino]-2-butenedinitrile, C22H23N5O
Byung-Soon Kim; Shinya Matsumoto; Young-A Son; Zeitschrift für Kristallographie - New Crystal Structures 226 (2011) 428–; doi:

data_8103148
_publ_section_title
;
 Crystal structure of
 (Z)-2-amino-3-[(E)-2-(benzyloxy)-4-(diethylamino)-benzylideneamino]-2-butenedinitrile,
 C22H23N5O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              428
_journal_volume                  226
_journal_year                    2011
_chemical_formula_moiety         'C22 H23 N5 O '
_chemical_formula_sum            'C22 H23 N5 O'
_chemical_formula_weight         373.46
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.3791(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   14.2290(3)
_cell_length_b                   18.1985(3)
_cell_length_c                   16.0679(3)
_cell_measurement_reflns_used    27149
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.2
_cell_volume                     4078.94(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37768
_diffrn_reflns_theta_full        68.21
_diffrn_reflns_theta_max         68.21
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1584.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     551
_refine_ls_number_reflns         7439
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.0215
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0010Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                3925
_reflns_number_total             7439
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            1267-3410.cff
_cod_data_source_block           '_C22H23N5O'
_cod_original_cell_volume        4078.92(13)
_cod_original_formula_sum        'C22 H23 N5 O '
_cod_database_code               8103148