data_2008248
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  416
_journal_page_last  419
_publ_section_title
;
Two new spiro lactam-lactones
;
loop_
_publ_author_name
  'Zukerman-Schpector, J.'
  'Biaggio, Francisco C.'
  'Rufino, Alessandra R.'
  'Caracelli, I.'
_chemical_formula_moiety  'C10 H15 N O3'
_chemical_formula_sum  'C10 H15 N O3'
_chemical_formula_weight  197.23
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x+1/2, -y+1/2, z+1/2'
  '-x, -y, -z'
  '-x-1/2, y-1/2, -z-1/2'
_cell_length_a  9.9910(10)
_cell_length_b  10.0980(10)
_cell_length_c  10.5760(10)
_cell_angle_alpha  90.00
_cell_angle_beta  108.980(10)
_cell_angle_gamma  90.00
_cell_volume  1008.99(18)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.298
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
  N 0.8385(3) 0.1120(3) 0.9420(3) 0.0441(8) Uani d . 1 . . N
  H1N 0.9126 0.0866 0.9243 0.053 Uiso calc R 1 . . H
  O3 0.5458(3) 0.0294(3) 0.8002(3) 0.0735(9) Uani d . 1 . . O
  O2 0.5752(3) 0.1331(3) 0.6277(2) 0.0672(8) Uani d . 1 . . O
  O1 0.9327(2) 0.0045(3) 1.1336(2) 0.0564(7) Uani d . 1 . . O
  C1 0.6112(4) 0.1073(4) 0.7583(4) 0.0518(10) Uani d . 1 . . C
  C3 0.6763(4) 0.2248(4) 0.6008(3) 0.0607(11) Uani d . 1 . . C
  H3 0.6377 0.3148 0.5915 0.073 Uiso calc R 1 . . H
  C4 0.8024(4) 0.2164(4) 0.7247(3) 0.0525(10) Uani d . 1 . . C
  H4A 0.8549 0.2989 0.7406 0.063 Uiso calc R 1 . . H
  H4B 0.8650 0.1452 0.7180 0.063 Uiso calc R 1 . . H
  C5 0.7400(3) 0.1889(3) 0.8358(3) 0.0419(9) Uani d . 1 . . C
  C7 0.8357(4) 0.0730(3) 1.0627(4) 0.0465(9) Uani d . 1 . . C
  C8 0.7140(4) 0.1088(4) 1.1106(4) 0.0657(12) Uani d . 1 . . C
  H8A 0.7343 0.0747 1.2006 0.079 Uiso calc R 1 . . H
  H8B 0.6302 0.0635 1.0543 0.079 Uiso calc R 1 . . H
  C9 0.6795(4) 0.2545(5) 1.1121(4) 0.0793(13) Uani d . 1 . . C
  H9A 0.7667 0.3029 1.1532 0.095 Uiso calc R 1 . . H
  H9B 0.6197 0.2671 1.1672 0.095 Uiso calc R 1 . . H
  C10 0.6054(4) 0.3126(4) 0.9744(4) 0.0760(13) Uani d . 1 . . C
  H10A 0.5219 0.2600 0.9308 0.091 Uiso calc R 1 . . H
  H10B 0.5739 0.4015 0.9854 0.091 Uiso calc R 1 . . H
  C11 0.6955(4) 0.3191(4) 0.8839(4) 0.0619(11) Uani d . 1 . . C
  H11A 0.7808 0.3681 0.9305 0.074 Uiso calc R 1 . . H
  H11B 0.6441 0.3703 0.8055 0.074 Uiso calc R 1 . . H
  C12 0.6995(4) 0.1845(5) 0.4730(4) 0.0790(14) Uani d . 1 . . C
  H12A 0.7613 0.2470 0.4517 0.119 Uiso calc R 1 . . H
  H12B 0.6104 0.1826 0.4021 0.119 Uiso calc R 1 . . H
  H12C 0.7418 0.0980 0.4835 0.119 Uiso calc 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
  N 0.0308(16) 0.053(2) 0.0478(17) 0.0056(14) 0.0121(13) 0.0069(16)
  O3 0.0551(18) 0.083(2) 0.083(2) -0.0224(15) 0.0236(15) -0.0029(17)
  O2 0.0538(17) 0.084(2) 0.0562(17) -0.0142(15) 0.0071(13) 0.0021(16)
  O1 0.0475(16) 0.0691(17) 0.0497(14) 0.0167(14) 0.0120(12) 0.0111(14)
  C1 0.040(2) 0.058(3) 0.055(3) 0.000(2) 0.0132(19) -0.001(2)
  C3 0.058(3) 0.064(3) 0.057(2) 0.012(2) 0.015(2) 0.015(2)
  C4 0.045(2) 0.050(2) 0.058(2) 0.0066(19) 0.0119(18) 0.015(2)
  C5 0.0317(19) 0.041(2) 0.047(2) 0.0037(17) 0.0040(17) 0.0070(18)
  C7 0.045(2) 0.047(2) 0.047(2) -0.002(2) 0.0148(19) -0.008(2)
  C8 0.054(2) 0.084(3) 0.067(3) 0.015(2) 0.029(2) 0.008(2)
  C9 0.062(3) 0.106(4) 0.077(3) 0.020(3) 0.033(2) -0.010(3)
  C10 0.067(3) 0.070(3) 0.091(3) 0.024(2) 0.026(3) -0.010(3)
  C11 0.056(2) 0.051(3) 0.069(3) 0.0121(19) 0.008(2) -0.001(2)
  C12 0.072(3) 0.101(4) 0.059(3) 0.017(3) 0.015(2) 0.017(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  N C7 1.345(4) yes
  N C5 1.454(4) yes
  O3 C1 1.197(4) no
  O2 C1 1.335(4) yes
  O2 C3 1.465(4) yes
  O1 C7 1.227(4) yes
  C1 C5 1.523(5) no
  C3 C4 1.496(4) no
  C3 C12 1.500(5) no
  C4 C5 1.524(4) no
  C5 C11 1.527(5) no
  C7 C8 1.505(5) no
  C8 C9 1.512(5) no
  C9 C10 1.520(5) no
  C10 C11 1.514(5) no