#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000526.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_2000526
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1801
_journal_page_last  1804
loop_
_publ_author_name
 'Regan, A.C.'
 'Wallis, J.D.'
 'Povey, D.C.'
_chemical_formula_sum  'C11 H14 N2 O1'
_chemical_formula_weight  190.3
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  6.161(2)
_cell_length_b  8.045(3)
_cell_length_c  20.811(6)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1031.4
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.22
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  408
_exptl_absorpt_coefficient_mu  0.075
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O(1) .0148(4) .2873(3) .93320(10)
         .054(2)
 N(1) -.1698(5) .1930(4) .84440(10)
          .043(2)
 N(2) -.3311(6) .1826(4) .9380(2) .045(2)
 C(1) -.1477(6) .2267(4) .9084(2) .039(2)
 C(2) -.3976(6) .1644(5) .8296(2) .043(2)
 C(3) -.4897(6) .1109(4) .8949(2) .038(2)
 C(4) -.5209(6) -.0744(4) .9043(2) .040(2)
 C(5) -.7211(7) -.1443(6) .8912(2) .053(2)
 C(6) -.7544(8) -.3125(6) .8985(2) .064(3)
 C(7) -.5892(9) -.4131(6) .9185(2) .066(3)
 C(8) -.3906(9) -.3465(6) .9312(2) .063(3)
 C(9) -.3560(7) -.1768(5) .9247(2) .052(2)
 C(10) -.4309(9) .0464(8) .7742(2) .067(3)
 C(11) -.0319(8) .2773(8) .7987(2) .069(3)
 H(N2) -.356(5) .193(4) .978(2) .032(9)
 H(2) -.448(5) .266(5) .818(2) .040(10)
 H(3) -.629(6) .169(4) .905(2) .033(9)
 H(5) -.833(7) -.081(5) .881(2) .060(10)
 H(6) -.906(6) -.355(4) .888(2) .040(10)
 H(7) -.619(7) -.538(6) .925(2) .080(10)
 H(8) -.274(8) -.409(6) .948(2) .08(2)
 H(9) -.216(7) -.132(5) .935(2) .050(10)
 H(101) -.590(10)
       .018(7) .774(2) .090(9)
 H(102) -.357(9) -.063(7) .785(2) .090(9)
 H(103) -.370(9) .088(7) .737(2) .090(9)
 H(111) .104(9) .302(8) .820(3) .110(10)
 H(112) -.030(10)
       .226(7) .759(3) .110(10)
 H(113) -.090(10)
       .384(8) .792(3) .110(10)