data_2006563
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  1468
_journal_page_last  1471
_publ_section_title
;
Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone
;
loop_
_publ_author_name
  "D\'iaz, Eduardo"
  "Barrios, H\'ector"
  "Toscano, Rub\'en A."
_chemical_formula_moiety  'C17 H18 N2 O2'
_chemical_formula_sum  'C17 H18 N2 O2'
_chemical_formula_weight  282.33
_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  9.890(3)
_cell_length_b  10.437(3)
_cell_length_c  14.790(4)
_cell_angle_alpha  90.00
_cell_angle_beta  97.75(2)
_cell_angle_gamma  90.00
_cell_volume  1512.7(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  273(2)
_exptl_crystal_density_diffrn  1.240
_diffrn_ambient_temperature  273(2)
_refine_ls_R_factor_obs  .0501
_refine_ls_wR_factor_obs  .1280
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  N1  .0840(2)  .6226(2)  .47643(14)  .0532(6) Uani d . 1 . N
  C2  .0559(3)  .7566(3)  .5026(2)  .0583(8) Uani d . 1 . C
  C3  .1833(3)  .8241(3)  .5515(2)  .0673(8) Uani d . 1 . C
  C4  .3074(3)  .8050(3)  .5056(2)  .0673(9) Uani d . 1 . C
  C5  .3289(3)  .6742(3)  .4708(2)  .0673(8) Uani d . 1 . C
  C6  .1963(3)  .6195(3)  .4198(2)  .0556(7) Uani d . 1 . C
  O7  .1330(2)  .5549(2)  .56002(13)  .0629(6) Uani d . 1 . O
  N8  .3934(3)  .8942(2)  .5001(2)  .0750(8) Uani d . 1 . N
  O9A  .3606(4) 1.0109(4)  .5454(3)  .090(2) Uani d PD  .526(5) . O
  O9B  .5083(5)  .8620(5)  .4496(3)  .093(2) Uani d P  .474(5) . O
  C10  -.0152(3)  .8233(3)  .4182(2)  .0629(8) Uani d . 1 . C
  C11  -.1451(3)  .7843(3)  .3829(2)  .0824(10) Uani d . 1 . C
  C12  -.2113(4)  .8360(4)  .3037(3)  .0974(12) Uani d . 1 . C
  C13  -.1504(4)  .9281(4)  .2578(3)  .0986(12) Uani d . 1 . C
  C14  -.0233(4)  .9688(4)  .2916(2)  .0939(11) Uani d . 1 . C
  C15  .0439(3)  .9175(3)  .3707(2)  .0774(9) Uani d . 1 . C
  C16  .2083(3)  .4875(3)  .3797(2)  .0598(8) Uani d . 1 . C
  C17  .3009(3)  .3976(3)  .4173(3)  .0814(10) Uani d . 1 . C
  C18  .3070(4)  .2791(4)  .3790(3)  .1022(13) Uani d . 1 . C
  C19  .2225(5)  .2469(4)  .3027(3)  .1000(13) Uani d . 1 . C
  C20  .1281(4)  .3344(4)  .2639(3)  .0938(11) Uani d . 1 . C
  C21  .1224(3)  .4542(3)  .3024(2)  .0742(9) Uani d . 1 . C
  H2  -.0102  .7520  .5463  .060 Uiso calc R 1 . H
  H3A  .1648  .9151  .5547  .060 Uiso calc R 1 . H
  H3B  .2016  .7920  .6135  .060 Uiso calc R 1 . H
  H5A  .3618  .6185  .5216  .060 Uiso calc R 1 . H
  H5B  .3979  .6771  .4301  .060 Uiso calc R 1 . H
  H6  .1693  .6771  .3682  .060 Uiso calc R 1 . H
  H7  .074(3)  .496(3)  .5633(18)  .060 Uiso d . 1 . H
  H9  .427(2)  1.060(2)  .5379(19)  .060 Uiso d D 1 . H
  H11  -.1885  .7217  .4133  .060 Uiso calc R 1 . H
  H12  -.2986  .8080  .2812  .060 Uiso calc R 1 . H
  H13  -.1954  .9626  .2041  .060 Uiso calc R 1 . H
  H14  .0188 1.0320  .2609  .060 Uiso calc R 1 . H
  H15  .1309  .9467  .3927  .060 Uiso calc R 1 . H
  H17  .3603  .4178  .4695  .060 Uiso calc R 1 . H
  H18  .3701  .2196  .4057  .060 Uiso calc R 1 . H
  H19  .2282  .1663  .2766  .060 Uiso calc R 1 . H
  H20  .0684  .3129  .2120  .060 Uiso calc R 1 . H
  H21  .0593  .5136  .2755  .060 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
  N1  .0541(14)  .0483(13)  .0557(13)  -.0080(10)  .0021(11)  .0057(11)
  C2  .059(2)  .053(2)  .062(2)  -.0110(14)  .0051(14)  -.0030(14)
  C3  .074(2)  .055(2)  .069(2)  -.016(2)  -.005(2)  .0005(15)
  C4  .063(2)  .059(2)  .075(2)  -.021(2)  -.009(2)  .005(2)
  C5  .054(2)  .064(2)  .082(2)  -.0123(15)  .0054(15)  .009(2)
  C6  .048(2)  .052(2)  .066(2)  -.0095(13)  .0063(13)  .0077(14)
  O7  .0625(13)  .0604(13)  .0632(12)  -.0175(10)  -.0007(10)  .0104(10)
  N8  .065(2)  .062(2)  .096(2)  -.0211(14)  .0065(15)  -.0037(15)
  O9A  .085(3)  .058(3)  .130(4)  -.034(2)  .024(3)  -.021(3)
  O9B  .077(4)  .089(4)  .111(4)  -.040(3)  .011(3)  -.006(3)
  C10  .063(2)  .051(2)  .073(2)  -.0014(15)  .004(2)  -.001(2)
  C11  .075(2)  .077(2)  .090(2)  -.014(2)  -.007(2)  .008(2)
  C12  .077(2)  .100(3)  .105(3)  -.006(2)  -.024(2)  -.003(3)
  C13  .114(3)  .091(3)  .082(2)  .012(2)  -.020(2)  .012(2)
  C14  .105(3)  .082(3)  .090(3)  -.005(2)  -.002(2)  .026(2)
  C15  .074(2)  .064(2)  .090(2)  -.009(2)  -.003(2)  .013(2)
  C16  .058(2)  .053(2)  .070(2)  -.0062(15)  .0156(15)  .004(2)
  C17  .079(2)  .062(2)  .101(2)  .003(2)  .005(2)  .003(2)
  C18  .101(3)  .069(3)  .140(4)  .020(2)  .030(3)  .012(3)
  C19  .112(3)  .062(2)  .139(4)  -.001(2)  .062(3)  -.017(3)
  C20  .105(3)  .088(3)  .092(3)  -.018(2)  .023(2)  -.032(2)
  C21  .075(2)  .066(2)  .083(2)  -.002(2)  .015(2)  -.006(2)
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
  N1 O7 . 1.450(3) ?
  N1 C6 . 1.479(3) ?
  N1 C2 . 1.488(3) ?
  C2 C10 . 1.516(4) ?
  C2 C3 . 1.536(4) ?
  C2 H2 .  .98 ?
  C3 C4 . 1.494(4) ?
  C3 H3A .  .97 ?
  C3 H3B .  .97 ?
  C4 N8 . 1.271(3) ?
  C4 C5 . 1.485(4) ?
  C5 C6 . 1.532(4) ?
  C5 H5A .  .97 ?
  C5 H5B .  .97 ?
  C6 C16 . 1.511(4) ?
  C6 H6 .  .98 ?
  O7 H7 .  .85(3) ?
  N8 O9A . 1.448(5) ?
  N8 O9B . 1.481(6) ?
  O9A H9 .  .848(11) ?
  C10 C11 . 1.381(4) ?
  C10 C15 . 1.383(4) ?
  C11 C12 . 1.373(5) ?
  C11 H11 .  .93 ?
  C12 C13 . 1.363(5) ?
  C12 H12 .  .93 ?
  C13 C14 . 1.357(5) ?
  C13 H13 .  .93 ?
  C14 C15 . 1.373(4) ?
  C14 H14 .  .93 ?
  C15 H15 .  .93 ?
  C16 C21 . 1.374(4) ?
  C16 C17 . 1.376(4) ?
  C17 C18 . 1.365(5) ?
  C17 H17 .  .93 ?
  C18 C19 . 1.353(5) ?
  C18 H18 .  .93 ?
  C19 C20 . 1.375(5) ?
  C19 H19 .  .93 ?
  C20 C21 . 1.378(5) ?
  C20 H20 .  .93 ?
  C21 H21 .  .93 ?