data_2004749
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     919
_journal_page_last     923
_publ_section_title
;
Structures of Four p-Amidoperbenzoic  Acids
;
_chemical_formula_moiety     'C11 H13 N1 O4'
_chemical_formula_sum     'C11 H13 N1 O4'
_chemical_formula_weight     223.2
_symmetry_cell_setting    'orthorhombic'
_symmetry_space_group_name_H-M     'P b c m'
_cell_length_a     10.750(3)
_cell_length_b     14.477(6)
_cell_length_c     6.875(3)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     1069.9(7)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.39
_cell_measurement_temperature     295
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C(1) .3513(4) .2451(3) .2500 .033(2)
C(2) .4663(4) .2887(3) .2500 .037(3)
C(3) .5740(4) .2377(3) .2500 .037(3)
C(4) .5685(4) .1416(3) .2500 .034(3)
C(5) .4537(4) .0984(3) .2500 .044(3)
C(6) .3445(4) .1497(3) .2500 .046(3)
C(7) .6819(4) .0832(3) .2500 .038(3)
C(8) .1234(4) .2809(3) .2500 .039(3)
C(9) .0409(4) .3661(3) .2500 .048(3)
C(10) -.0963(4) .3463(3) .2500 .048(3)
C(11)
     -0.1717(5) .4363(3) .2500 .108(3)
N(1) .2460(3) .3035(3) .2500 .040(2)
O(8) .0856(3) .2016(2) .2500 .055(2)
O(71) .6854(3) .0011(2) .2500 .061(3)
O(72) .7832(3) .1379(2) .2500 .051(3)
O(73) .8958(3) .0823(3) .2500 .057(3)
H(1N) .2637(3) .3685(3) .2500 .09(2)
H(2) .4706(4) .3549(3) .2500 .046(7)
H(3) .6533(4) .2683(3) .2500 .046(7)
H(5) .4494(4) .0322(3) .2500 .046(7)
H(6) .2652(4) .1192(3) .2500 .046(7)
H(73) .950(6)   .125(5)   .2500 .11(3)
H(91) .0599(4) .4017(3) .1360 .067(13)
H(101)
      -0.1168(4) .3112(3) .1360 .058(12)
H(111)
      -0.2589(5) .4219(3) .2500 .081(12)
H(112)
      -0.1518(5) .4716(3) .1360 .081(12)