data_2003349 _journal_name_full 'Acta Crystallographica' _journal_year 1995 _journal_volume C51 _journal_page_first 707 _journal_page_last 709 _publ_section_title ; 2-Methyl-2-(2-methylphenylazo)-1,3-indandione ; _chemical_formula_moiety 'C17 H14 N2 O2' _chemical_formula_sum 'C17 H14 N2 O2' _chemical_formula_weight 278.3 loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2+y,-z' _symmetry_space_group_name_H-M 'P 21/a' _cell_length_a 8.205(2) _cell_length_b 14.321(5) _cell_length_c 12.838(4) _cell_angle_alpha 90. _cell_angle_beta 107.73(2) _cell_angle_gamma 90. _cell_volume 1436.9(8) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.287 _exptl_crystal_density_meas ? _diffrn_radiation_type 'MoK\a' _diffrn_radiation_wavelength 0.71073 _cell_measurement_reflns_used 15 _cell_measurement_theta_min 6 _cell_measurement_theta_max 20 _exptl_absorpt_coefficient_mu 0.08 _cell_measurement_temperature 293 _exptl_crystal_description 'plate' _exptl_crystal_size_max 0.44 _exptl_crystal_size_mid 0.44 _exptl_crystal_size_min 0.22 _exptl_crystal_size_rad ? _exptl_crystal_colour 'yellow' _chemical_compound_source 'Phillips (1959)' _diffrn_measurement_device 'Nicolet R3m/V' _diffrn_measurement_method '\w-2\q' _exptl_absorpt_correction_type 'empirical' _exptl_absorpt_correction_T_min 0.959 _exptl_absorpt_correction_T_max 0.986 _diffrn_reflns_number 1174 _reflns_number_total 1174 _reflns_number_observed 1079 _reflns_observed_criterion F>4\s(F) _diffrn_reflns_av_R_equivalents 0 _diffrn_reflns_theta_max 22.5 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_standards_number 2 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 125 _diffrn_standards_decay_% 0.5 _refine_ls_structure_factor_coef F _refine_ls_R_factor_obs 0.0529 _refine_ls_wR_factor_obs 0.0565 _refine_ls_goodness_of_fit_obs ? _refine_ls_number_reflns 991 _refine_ls_number_parameters 232 _refine_ls_hydrogen_treatment 'refxyz' _refine_ls_weighting_scheme '2.7065/[\s^2^(F) + 0.000846F^2^]' _refine_ls_shift/esd_max 0.186 _refine_diff_density_max 0.16 _refine_diff_density_min -0.21 _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? _atom_type_scat_source 'IntTabIV' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv O2 .0821(4) .2828(2) .3834(3) .074(2) O1 .0899(5) -.0437(2) .3887(3) .086(2) N2 .1614(4) .1170(3) .2506(3) .060(1) N1 .0758(4) .1331(2) .1564(3) .060(2) C1 .1308(6) .2032(3) .4055(4) .056(3) C2 .0615(5) .1186(3) .3303(3) .055(2) C3 .1350(6) .0364(3) .4065(4) .059(3) C4 .2679(6) .0724(3) .5040(4) .051(3) C9 .2634(6) .1700(3) .5035(4) .054(3) C1' .1708(6) .1307(3) .0792(4) .058(2) C2' .0745(7) .1251(3) -.0296(4) .078(2) C5 .3879(7) .0254(4) .5889(4) .063(3) C6 .5001(7) .0757(4) .6697(5) .073(3) C7 .4913(7) .1728(4) .6695(5) .076(3) C8 .3734(7) .2206(3) .5874(5) .065(3) C10 -.1301(6) .1179(4) .2813(5) .075(2) C11 -.1170(10) .1239(4) -.0637(6) .113(3) C3' .1678(13) .1172(4) -.1072(5) .104(4) C4' .3421(13) .1166(5) -.0737(6) .107(4) C5' .4344(9) .1255(4) .0355(5) .092(3) C6' .3502(7) .1321(3) .1100(4) .067(2) H5 .389(5) -.034(3) .584(3) .050 H6 .595(5) .044(3) .729(3) .065 H7 .572(5) .200(3) .727(3) .065 H8 .365(5) .286(3) .585(3) .060 H101 -.182(5) .124(3) .336(3) .070 H102 -.166(5) .064(3) .234(3) .070 H103 -.175(5) .179(3) .233(3) .070 H111 -.152(5) .124(3) -.140(4) .070 H112 -.154(6) .172(3) -.079(4) .070 H113 -.156(5) .073(3) -.043(4) .070 H3' .088(6) .114(3) -.169(4) .090 H4' .384(6) .114(3) -.133(5) .100 H5' .566(6) .136(3) .053(4) .090 H6' .404(6) .139(3) .176(4) .060