data_2200606
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o1027
_journal_page_last  o1028
_publ_section_title
;
N,N'-Bis(salicylidene)-1-4-butanediamine
;
loop_
_publ_author_name
  'Kennedy, Alan R.'
  'Reglinski, John'
_chemical_formula_moiety  'C18 H20 N2 O2'
_chemical_formula_sum  'C18 H20 N2 O2'
_chemical_formula_iupac  'C18 H20 N2 O2'
_chemical_formula_weight  296.36
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z'
_cell_length_a  8.7330(2)
_cell_length_b  5.8710(3)
_cell_length_c  15.3070(6)
_cell_angle_alpha  90.0
_cell_angle_beta  90.5350(10)
_cell_angle_gamma  90.0
_cell_volume  784.78(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  123(2)
_exptl_crystal_density_diffrn  1.254
_diffrn_ambient_temperature  123(2)
_refine_ls_R_factor_obs  .0626
_refine_ls_wR_factor_obs  .1058
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
  O1  .1790(2)  .7137(3)  .32013(12)  .0290(5) Uani d . 1 . O
  N1  .0452(2)  .3245(4)  .34121(14)  .0244(6) Uani d . 1 . N
  C9  .0451(3)  .0878(5)  .4742(2)  .0248(7) Uani d . 1 . C
  C8  -.0418(3)  .1595(5)  .3919(2)  .0270(7) Uani d . 1 . C
  C7  .0870(3)  .2682(5)  .2638(2)  .0232(7) Uani d . 1 . C
  C6  .1796(3)  .4203(5)  .2104(2)  .0209(7) Uani d . 1 . C
  C5  .2285(3)  .3505(5)  .1278(2)  .0248(7) Uani d . 1 . C
  C4  .3224(3)  .4866(5)  .0780(2)  .0284(7) Uani d . 1 . C
  C3  .3686(3)  .6968(5)  .1103(2)  .0281(7) Uani d . 1 . C
  C2  .3201(3)  .7715(5)  .1909(2)  .0260(7) Uani d . 1 . C
  C1  .2250(3)  .6354(5)  .2414(2)  .0233(7) Uani d . 1 . C
  H5  .193(3)  .199(5)  .1071(16)  .027(7) Uiso d . 1 . H
  H6  .059(3)  .116(5)  .2399(16)  .028(7) Uiso d . 1 . H
  H8  -.068(3)  .020(5)  .3579(17)  .030(7) Uiso d . 1 . H
  H2  .352(2)  .918(5)  .2138(15)  .020(7) Uiso d . 1 . H
  H7  -.144(3)  .238(5)  .4099(17)  .038(8) Uiso d . 1 . H
  H9  .146(3)  .016(4)  .4559(15)  .018(6) Uiso d . 1 . H
  H3  .436(3)  .797(5)  .0770(17)  .033(8) Uiso d . 1 . H
  H4  .351(3)  .433(5)  .0200(18)  .032(7) Uiso d . 1 . H
  H10  .069(3)  .233(5)  .5100(19)  .044(9) Uiso d . 1 . H
  H1  .119(4)  .583(7)  .348(3)  .094(13) Uiso d . 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
  O1  .0353(11)  .0290(12)  .0227(12)  .0018(9)  .0022(9)  -.0056(10)
  N1  .0220(12)  .0303(15)  .0208(14)  .0003(10)  .0003(10)  .0029(12)
  C9  .023(2)  .030(2)  .022(2)  -.0018(13)  .0002(12)  .0027(14)
  C8  .024(2)  .032(2)  .025(2)  -.0052(14)  -.0016(13)  .0043(15)
  C7  .0210(14)  .026(2)  .022(2)  .0013(13)  -.0044(12)  .0016(14)
  C6  .0207(14)  .024(2)  .018(2)  .0019(12)  -.0022(12)  .0022(13)
  C5  .031(2)  .024(2)  .019(2)  .0013(13)  -.0037(13)  .0013(14)
  C4  .033(2)  .034(2)  .018(2)  .0006(14)  .0028(13)  .0001(15)
  C3  .027(2)  .031(2)  .026(2)  -.0003(14)  .0045(13)  .0113(15)
  C2  .027(2)  .023(2)  .028(2)  -.0004(13)  -.0032(13)  .000(2)
  C1  .0220(14)  .026(2)  .022(2)  .0044(13)  -.0039(12)  .0031(14)
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
  O1 C1 . 1.354(3) ?
  O1 H1 . 1.03(4) ?
  N1 C7 . 1.286(3) ?
  N1 C8 . 1.460(3) ?
  C9 C9 3_556 1.522(5) ?
  C9 C8 . 1.524(4) ?
  C9 H9 . 1.02(2) ?
  C9 H10 . 1.03(3) ?
  C8 H8 . 1.00(3) ?
  C8 H7 . 1.05(3) ?
  C7 C6 . 1.460(4) ?
  C7 H6 . 1.00(3) ?
  C6 C5 . 1.399(3) ?
  C6 C1 . 1.405(4) ?
  C5 C4 . 1.380(4) ?
  C5 H5 .  .99(3) ?
  C4 C3 . 1.388(4) ?
  C4 H4 .  .98(3) ?
  C3 C2 . 1.380(4) ?
  C3 H3 .  .98(3) ?
  C2 C1 . 1.392(4) ?
  C2 H2 .  .97(3) ?