2-(5-Meth-oxy-2-methyl-1H-indol-3-yl)-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]acetohydrazide.
Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Albayati, Mustafa R.; El-Remaily, Mahmoud A A; Acta crystallographica. Section E, Structure reports online 69 (2013) o1493–; doi:10.1107/S1600536813023805

data_2311184
_publ_section_title
;
 2-(5-Meth-oxy-2-methyl-1H-indol-3-yl)-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]acetohydrazide.
;
_journal_coeditor_code           QM2100
_journal_issue                   'Pt 9'
_journal_name_full
'Acta crystallographica. Section E, Structure reports online'
_journal_page_first              o1493
_journal_paper_doi               10.1107/S1600536813023805
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C21 H21 N3 O2'
_chemical_formula_moiety         'C21 H21 N3 O2'
_chemical_formula_sum            'C21 H21 N3 O2'
_chemical_formula_weight         347.41
_chemical_name_systematic
2-(5-Methoxy-2-methyl-1<i>H</i>-indol-3-yl)-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-phenylprop-2-en-1-ylidene]acetohydrazide
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                93.001(2)
_cell_angle_beta                 108.993(2)
_cell_angle_gamma                105.578(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2786(9)
_cell_length_b                   10.1194(11)
_cell_length_c                   11.7739(13)
_cell_measurement_reflns_used    8428
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.08
_cell_measurement_theta_min      2.59
_cell_volume                     887.75(17)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and
and PLATON (Spek, 2009)
;
_computing_publication_material
'WinGX (Farrugia, 2012) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3660
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16303
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         29.10
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2013)'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4574
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
' W=1/[\S^2^(FO^2^)+(0.0677P)^2^+0.0983P]  WHERE P=(FO^2^+2FC^2^)/3 '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1264
_reflns_number_gt                3675
_reflns_number_total             4574
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qm2100sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        887.76(17)
_cod_database_code               2311184