data_2004995 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1516 _journal_page_last 1520 _publ_section_title ; Four \w-Phthalimidoaliphatic Peracids ; _chemical_formula_moiety 'C12 H11 N O5' _chemical_formula_sum 'C12 H11 N O5' _chemical_formula_weight 249.22 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 7.968(2) _cell_length_b 8.463(2) _cell_length_c 9.4295(10) _cell_angle_alpha 85.473(10) _cell_angle_beta 113.31(2) _cell_angle_gamma 105.37(2) _cell_volume 562.8(2) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.471 _cell_measurement_temperature 295(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv N1 1 0.3329(2) 0.1899(2) 0.25571(15) 0.0356(3) O7 1 0.0764(2) -0.0320(2) 0.2142(2) 0.0608(4) O8 1 0.5945(2) 0.40087(15) 0.36936(14) 0.0449(3) O120 1 0.1664(2) 0.6657(2) -0.1408(2) 0.0556(4) O121 1 -0.0196(2) 0.4812(2) -0.33407(15) 0.0477(3) O122 1 -0.1174(2) 0.6093(2) -0.4016(2) 0.0560(4) C1 1 0.4492(2) 0.2078(2) 0.5202(2) 0.0331(3) C2 1 0.5553(3) 0.2478(2) 0.6742(2) 0.0412(4) H2 1 0.6621(3) 0.3357(2) 0.7058(2) 0.062(3) C3 1 0.4968(3) 0.1519(3) 0.7807(2) 0.0482(5) H3 1 0.5654(3) 0.1762(3) 0.8857(2) 0.062(3) C4 1 0.3387(3) 0.0211(2) 0.7335(2) 0.0497(5) H4 1 0.3023(3) -0.0404(2) 0.8075(2) 0.062(3) C5 1 0.2326(3) -0.0207(2) 0.5781(2) 0.0455(4) H5 1 0.1269(3) -0.1096(2) 0.5465(2) 0.062(3) C6 1 0.2909(2) 0.0753(2) 0.4727(2) 0.0354(4) C7 1 0.2123(2) 0.0633(2) 0.3012(2) 0.0393(4) C8 1 0.4751(2) 0.2826(2) 0.3799(2) 0.0333(3) C9 1 0.3121(3) 0.2199(2) 0.0961(2) 0.0387(4) H9A 1 0.2389(3) 0.1200(2) 0.0344(2) 0.044(4) H9B 1 0.4361(3) 0.2484(2) 0.0916(2) 0.044(4) C10 1 0.2160(3) 0.3559(2) 0.0275(2) 0.0404(4) H10A 1 0.2816(3) 0.4532(2) 0.0943(2) 0.058(5) H10B 1 0.0870(3) 0.3228(2) 0.0213(2) 0.058(5) C11 1 0.2149(2) 0.3957(2) -0.1323(2) 0.0382(4) H11A 1 0.3437(2) 0.4263(2) -0.1266(2) 0.050(4) H11B 1 0.1466(2) 0.2991(2) -0.1998(2) 0.050(4) C12 1 0.1236(2) 0.5332(2) -0.1986(2) 0.0360(4)