4-(4'-Dimethylaminostyryl)pyridine <i>N</i>-oxide from powder data
Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik; Acta Crystallographica Section E 59 (2003) o1006–o1008; doi:10.1107/S1600536803012340

data_2202419
_publ_section_title
;
 4-(4'-Dimethylaminostyryl)pyridine <i>N</i>-oxide from powder data
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1006
_journal_page_last               o1008
_journal_paper_doi               10.1107/S1600536803012340
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C15 H16 N2 O'
_chemical_formula_moiety         'C15 H16 N2 O'
_chemical_formula_sum            'C15 H16 N2 O'
_chemical_formula_weight         240.2
_chemical_name_systematic
;
4-(4-dimethylaminophenylethenyl)pyridine N-oxide
;
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.030(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.822(4)
_cell_length_b                   7.758(2)
_cell_length_c                   6.079(3)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      34.4
_cell_measurement_theta_min      8.9
_cell_volume                     1261.8(7)
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_publication_material  '  MRIA and PARST (Nardelli, 1983)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device
'Philips Analytical XPert PRO X-ray diffraction system'
_diffrn_radiation_monochromator  'PW3110/65, four Ge(220) crystals'
_diffrn_radiation_source         'PW3373/00, line-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             512
_refine_diff_density_max         .54
_refine_diff_density_min         -.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.5
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    1
_refine_ls_number_parameters     162
_refine_ls_number_restraints     112
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .003
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w(i) = 1/I~obs~(i) at each point i'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            cf6258.cif
_cod_data_source_block           I
_cod_original_cell_volume        1262.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2202419