#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202419.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2202419
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  o1006
_journal_page_last  o1008
_publ_section_title
;
4-(4'-Dimethylaminostyryl)pyridine N-oxide from powder data
;
loop_
_publ_author_name
  'Ivashevskaja, Svetlana N.'
  'Aleshina, Lyudmila A.'
  'Andreev, Vladimir P.'
  'Nizhnik, Yakov P.'
  'Chernyshev, Vladimir V.'
  'Schenk, Hendrik'
_chemical_formula_moiety  'C15 H16 N2 O'
_chemical_formula_sum  'C15 H16 N2 O'
_chemical_formula_iupac  'C15 H16 N2 O'
_chemical_formula_weight  240.2
_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  26.822(4)
_cell_length_b  7.758(2)
_cell_length_c  6.079(3)
_cell_angle_alpha  90.00
_cell_angle_beta  94.030(10)
_cell_angle_gamma  90.00
_cell_volume  1262.0(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.266
_diffrn_ambient_temperature  293(2)
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 .0708(16) .180(6) -.545(9) 0.075(3) Uiso d . 1 . N
  C2 .115(2) .269(7) -.574(12) 0.075(3) Uiso d . 1 . C
  C3 .156(2) .254(8) -.425(12) 0.075(3) Uiso d . 1 . C
  C4 .155(2) .147(8) -.240(12) 0.075(3) Uiso d . 1 . C
  C5 .111(2) .056(8) -.208(12) 0.075(3) Uiso d . 1 . C
  C6 .0696(18) .074(8) -.361(14) 0.075(3) Uiso d . 1 . C
  C7 .198(2) .130(8) -.084(11) 0.075(3) Uiso d . 1 . C
  C8 .241(3) .214(8) -.106(11) 0.075(3) Uiso d . 1 . C
  C9 .284(2) .197(8) .050(13) 0.075(3) Uiso d . 1 . C
  C10 .328(2) .288(7) .017(11) 0.075(3) Uiso d . 1 . C
  C11 .3689(19) .273(8) .166(12) 0.075(3) Uiso d . 1 . C
  C12 .367(2) .165(8) .353(11) 0.075(3) Uiso d . 1 . C
  C13 .323(2) .074(8) .385(11) 0.075(3) Uiso d . 1 . C
  C14 .2818(19) .090(8) .235(11) 0.075(3) Uiso d . 1 . C
  N15 .4075(16) .148(6) .502(9) 0.075(3) Uiso d . 1 . N
  C16 .404(2) .038(9) .689(13) 0.075(3) Uiso d . 1 . C
  C17 .452(2) .242(7) .467(13) 0.075(3) Uiso d . 1 . C
  O18 .0320(14) .194(5) -.685(7) 0.075(3) Uiso d . 1 . O
  H2 .117 .340 -.696 0.051 Uiso d . 1 . H
  H3 .185 .315 -.449 0.051 Uiso d . 1 . H
  H5 .109 -.016 -.087 0.051 Uiso d . 1 . H
  H6 .041 .012 -.338 0.051 Uiso d . 1 . H
  H7 .195 .058 .037 0.051 Uiso d . 1 . H
  H8 .243 .286 -.227 0.051 Uiso d . 1 . H
  H10 .329 .360 -.106 0.051 Uiso d . 1 . H
  H11 .398 .334 .143 0.051 Uiso d . 1 . H
  H13 .321 .003 .508 0.051 Uiso d . 1 . H
  H14 .253 .030 .257 0.051 Uiso d . 1 . H
  H16A .435 .040 .778 0.051 Uiso d . 1 . H
  H16B .397 -.078 .640 0.051 Uiso d . 1 . H
  H16C .378 .077 .776 0.051 Uiso d . 1 . H
  H17A .477 .217 .585 0.051 Uiso d . 1 . H
  H17B .445 .363 .465 0.051 Uiso d . 1 . H
  H17C .464 .208 .329 0.051 Uiso d . 1 . H
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  N15 C17 . . 1.43(8) ?
  N15 C16 . . 1.43(9) .
  N15 C12 . . 1.37(7) .
  C12 C11 . . 1.42(9) ?
  C12 C13 . . 1.41(8) ?
  C11 C10 . . 1.38(8) ?
  C13 C14 . . 1.38(8) ?
  C14 C9 . . 1.40(9) ?
  C10 C9 . . 1.40(8) ?
  C9 C8 . . 1.44(9) .
  C8 C7 . . 1.34(9) .
  C7 C4 . . 1.44(8) .
  C4 C3 . . 1.40(9) ?
  C3 C2 . . 1.39(8) ?
  C4 C5 . . 1.40(8) ?
  C5 C6 . . 1.39(9) ?
  C2 N1 . . 1.39(7) ?
  C6 N1 . . 1.39(9) ?
  N1 O18 . . 1.30(6) .
  C6 H6 . . 0.93 ?
  C5 H5 . . 0.93 ?
  C2 H2 . . 0.93 ?
  C3 H3 . . 0.93 ?
  C7 H7 . . 0.93 ?
  C8 H8 . . 0.93 ?
  C14 H14 . . 0.93 ?
  C13 H13 . . 0.93 ?
  C11 H11 . . 0.93 ?
  C10 H10 . . 0.93 ?
  C16 H16A . . 0.96 ?
  C16 H16B . . 0.96 ?
  C16 H16C . . 0.96 ?
  C17 H17A . . 0.96 ?
  C17 H17B . . 0.96 ?
  C17 H17C . . 0.96 ?