#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000260.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_2000260
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1994
_journal_page_last  1996
loop_
_publ_author_name
 'Shoja, M.'
 'Saba, S.'
_chemical_formula_sum  'C13 H18 N2 O3'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P21/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  11.196(2)
_cell_length_b  16.490(3)
_cell_length_c  7.7330(10)
_cell_angle_alpha  90
_cell_angle_beta  108.64(2)
_cell_angle_gamma  90
_cell_volume  1352.7(5)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.23
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  536
_exptl_absorpt_coefficient_mu  .59
_diffrn_radiation_type  cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O(1) .7958(2) .16970(10)
   .8977(2)
 C(1') .9719(2) .1595(2) 1.1600(3)
 N(3) .7834(2) .0730(2) 1.1167(3)
 C(2) .8295(2) .1534(2) 1.0871(3)
 C(6) .6618(3) .1731(2) .8135(4)
 C(2') 1.0295(3) .2205(2) 1.2791(4)
 C(6') 1.0452(2) .1045(2) 1.1014(4)
 C(3') 1.1595(3) .2262(2) 1.3429(4)
 C(4') 1.2299(2) .1698(2) 1.2875(4)
 C(5') 1.1746(2) .1090(2) 1.1665(4)
 C(4) .6452(3) .0723(2) 1.0394(4)
 N(1) 1.3675(2) .1756(2) 1.3574(4)
 C(5) .6041(3) .0946(2) .8395(4)
 C(7) .8324(3) .0452(2) 1.3087(4)
 C(8) .8102(3) -.0452(2) 1.3188(5)
 O(2) 1.4301(2) .1251(2) 1.3126(4)
 O(3) 1.4144(3) .2311(2) 1.4610(4)
 C(9) .7834(3) .0911(3) 1.4436(4)
 HC5' 1.226 .071 1.125
 HC6' 1.005 .061 1.016
 HC2 .794 .191 1.154
 H1C6 .641 .187 .686
 H2C6 .626 .216 .868
 H1C5 .632 .052 .772
 H2C5 .513 .096 .788
 H1C4 .610 .111 1.105
 H2C4 .614 .019 1.059
 HC7 .923 .055 1.351
 H1C8 .842 -.065 1.442
 H2C8 .721 -.057 1.275
 H3C8 .850 -.076 1.247
 H1C9 .818 .071 1.564
 H2C9 .801 .147 1.443
 H3C9 .692 .085 1.407
 HC2' .979 .260 1.317
 HC3' 1.200 .270 1.427