data_2012572 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2002 _journal_volume 58 _journal_page_first o157 _journal_page_last o158 _publ_section_title ; 2-Methylphenyl 2-methoxyacridine-9-carboxylate ; loop_ _publ_author_name 'Meszko, Joanna' "Krzymi\'nski, Karol" 'Konitz, Antoni' "B\/la\.zejowski, Jerzy" _chemical_formula_sum 'C22 H17 N O3' _chemical_formula_weight 343.38 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.393(3) _cell_length_b 9.233(2) _cell_length_c 14.162(3) _cell_angle_alpha 90 _cell_angle_beta 91.81(3) _cell_angle_gamma 90 _cell_volume 1750.4(7) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.303 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol C1 .59097(11) .41613(18) -.09582(12) .0502(4) Uani d . 1 . . C H1A .6184 .4948 -.1310 .060 Uiso d R 1 . . H C2 .49579(12) .3711(2) -.11668(12) .0550(4) Uani d . 1 . . C C3 .45186(13) .2582(2) -.06388(14) .0603(5) Uani d . 1 . . C H3A .3844 .2299 -.0797 .072 Uiso d R 1 . . H C4 .50355(13) .1937(2) .00725(14) .0592(5) Uani d . 1 . . C H4A .4705 .1206 .0430 .071 Uiso d R 1 . . H C5 .80072(15) .1231(2) .19619(13) .0632(5) Uani d . 1 . . C H5A .7665 .0512 .2319 .076 Uiso d R 1 . . H C6 .89839(16) .1507(2) .21846(13) .0643(5) Uani d . 1 . . C H6A .9323 .0953 .2671 .077 Uiso d R 1 . . H C7 .94992(14) .2600(2) .17051(12) .0584(4) Uani d . 1 . . C H7A 1.0191 .2798 .1851 .070 Uiso d R 1 . . H C8 .90309(12) .33905(18) .10165(11) .0497(4) Uani d . 1 . . C H8A .9373 .4161 .0706 .060 Uiso d R 1 . . H C9 .74731(11) .38807(16) .00355(10) .0429(3) Uani d . 1 . . C N10 .65269(11) .16397(16) .10190(10) .0564(4) Uani d . 1 . . N C11 .64823(11) .35012(16) -.02127(11) .0448(4) Uani d . 1 . . C C12 .60456(12) .23484(18) .03133(12) .0505(4) Uani d . 1 . . C C13 .80096(11) .31190(16) .07462(10) .0442(3) Uani d . 1 . . C C14 .74893(13) .19990(18) .12308(11) .0511(4) Uani d . 1 . . C O15 .43478(9) .42634(17) -.18648(10) .0712(4) Uani d . 1 . . O C16 .47415(15) .5392(3) -.24303(15) .0754(6) Uani d . 1 . . C H16A .4258 .5710 -.2901 .091 Uiso d R 1 . . H H16B .4917 .6187 -.2020 .091 Uiso d R 1 . . H H16C .5328 .5050 -.2733 .091 Uiso d R 1 . . H C17 .79747(11) .51169(16) -.04380(10) .0419(3) Uani d . 1 . . C O18 .87542(9) .50795(12) -.08261(8) .0563(3) Uani d . 1 . . O O19 .74354(8) .63370(12) -.03415(9) .0559(3) Uani d . 1 . . O C20 .78277(11) .76557(17) -.06727(12) .0480(4) Uani d . 1 . . C C21 .84416(12) .84502(18) -.00600(11) .0514(4) Uani d . 1 . . C C22 .87118(14) .98224(19) -.03643(14) .0606(5) Uani d . 1 . . C H22A .9163 1.0382 .0030 .073 Uiso d R 1 . . H C23 .84092(15) 1.0339(2) -.12351(16) .0691(5) Uani d . 1 . . C H23A .8578 1.1317 -.1396 .083 Uiso d R 1 . . H C24 .78175(15) .9510(2) -.18316(15) .0729(6) Uani d . 1 . . C H24A .7652 .9833 -.2462 .087 Uiso d R 1 . . H C25 .75142(13) .8152(2) -.15482(13) .0627(5) Uani d . 1 . . C H25A .7042 .7594 -.1920 .075 Uiso d R 1 . . H C26 .88080(19) .7860(2) .08752(14) .0773(6) Uani d . 1 . . C H26A .9206 .8571 .1208 .093 Uiso d R 1 . . H H26B .8254 .7589 .1251 .093 Uiso d R 1 . . H H26C .9209 .7022 .0756 .093 Uiso d R 1 . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 .0444(8) .0523(9) .0541(9) -.0101(7) .0031(7) -.0046(7) C2 .0428(8) .0642(11) .0579(10) -.0042(8) .0013(7) -.0135(8) C3 .0404(8) .0680(12) .0729(12) -.0144(8) .0070(8) -.0175(9) C4 .0483(9) .0552(10) .0750(12) -.0149(8) .0153(8) -.0078(9) C5 .0734(12) .0592(11) .0574(10) -.0035(9) .0110(9) .0107(8) C6 .0729(12) .0686(12) .0513(10) .0054(10) .0005(9) .0082(9) C7 .0576(10) .0660(11) .0513(9) .0020(8) -.0014(8) -.0017(8) C8 .0506(9) .0489(9) .0495(9) -.0052(7) .0010(7) -.0025(7) C9 .0441(8) .0399(7) .0451(8) -.0062(6) .0061(6) -.0062(6) N10 .0550(8) .0499(8) .0649(9) -.0092(7) .0134(7) .0015(7) C11 .0415(8) .0425(8) .0509(8) -.0066(6) .0078(6) -.0087(7) C12 .0475(9) .0466(9) .0583(10) -.0086(7) .0132(7) -.0078(7) C13 .0473(8) .0411(8) .0444(8) -.0030(6) .0074(6) -.0054(6) C14 .0559(10) .0462(9) .0515(9) -.0029(7) .0102(7) -.0020(7) O15 .0466(7) .0947(10) .0716(8) -.0104(7) -.0092(6) .0008(7) C16 .0600(12) .0970(16) .0688(12) .0013(11) -.0066(10) .0057(12) C17 .0404(7) .0456(8) .0396(7) -.0073(6) -.0008(6) -.0046(6) O18 .0522(6) .0568(7) .0610(7) -.0038(5) .0186(5) -.0004(5) O19 .0470(6) .0419(6) .0798(8) -.0040(5) .0169(6) .0032(5) C20 .0417(8) .0415(8) .0611(10) -.0016(6) .0067(7) .0046(7) C21 .0532(9) .0458(9) .0554(9) -.0009(7) .0043(7) .0006(7) C22 .0606(11) .0450(9) .0763(12) -.0060(8) .0029(9) -.0011(8) C23 .0678(12) .0503(10) .0899(14) -.0041(9) .0124(11) .0191(10) C24 .0674(12) .0805(14) .0705(12) .0052(11) -.0003(10) .0294(11) C25 .0518(10) .0699(12) .0658(11) -.0031(9) -.0068(8) .0061(9) C26 .1029(17) .0656(13) .0626(12) -.0085(12) -.0112(11) .0029(10) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag C1 C2 . 1.364(2) no C1 C11 . 1.422(2) no C1 H1A . .9600 no C2 O15 . 1.361(2) yes C2 C3 . 1.421(3) no C3 C4 . 1.343(3) no C3 H3A . .9601 no C4 C12 . 1.436(2) no C4 H4A . .9600 no C5 C6 . 1.360(3) no C5 C14 . 1.418(3) no C5 H5A . .9600 no C6 C7 . 1.410(3) no C6 H6A . .9600 no C7 C8 . 1.356(2) no C7 H7A . .9600 no C8 C13 . 1.431(2) no C8 H8A . .9600 no C9 C11 . 1.406(2) yes C9 C13 . 1.407(2) no C9 C17 . 1.494(2) yes N10 C12 . 1.342(2) yes N10 C14 . 1.355(2) no C11 C12 . 1.434(2) no C13 C14 . 1.434(2) no O15 C16 . 1.426(2) yes C16 H16A . .9600 no C16 H16B . .9600 no C16 H16C . .9600 no C17 O18 . 1.1955(17) yes C17 O19 . 1.3474(19) yes O19 C20 . 1.4121(18) yes C20 C25 . 1.375(2) no C20 C21 . 1.386(2) no C21 C22 . 1.390(2) no C21 C26 . 1.500(3) no C22 C23 . 1.372(3) no C22 H22A . .9600 no C23 C24 . 1.373(3) no C23 H23A . .9600 no C24 C25 . 1.381(3) no C24 H24A . .9600 no C25 H25A . .9600 no C26 H26A . .9601 no C26 H26B . .9599 no C26 H26C . .9600 no