3-[2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]oxazolidin-2-one
Caleb, Ahoya Anothane; Bouhfid, Rachid; Essassi, El Mokhtar; El Ammari, Lahcen; Acta Crystallographica Section E 65 (2009) o2024–o2025; doi:10.1107/S1600536809028736

data_2222681
_publ_section_title
;
 3-[2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]oxazolidin-2-one
;
_journal_coeditor_code           FJ2233
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2024
_journal_page_last               o2025
_journal_paper_doi               10.1107/S1600536809028736
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C14 H15 N3 O3'
_chemical_formula_moiety         'C14 H15 N3 O3'
_chemical_formula_sum            'C14 H15 N3 O3'
_chemical_formula_weight         273.29
_chemical_melting_point          448
_chemical_name_systematic
;
3-[2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]oxazolidin-2-one
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 102.320(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.280(3)
_cell_length_b                   10.736(3)
_cell_length_c                   20.406(4)
_cell_measurement_reflns_used    21279
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.94
_cell_measurement_theta_min      2.55
_cell_volume                     2628.3(11)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXS97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker X8 APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21237
_diffrn_reflns_theta_full        30.94
_diffrn_reflns_theta_max         30.94
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.288
_refine_diff_density_min         -0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         4108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.081P)^2^+0.6684P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1573
_reflns_number_gt                2727
_reflns_number_total             4108
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fj2233.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               2222681
_cod_database_fobs_code          2222681