#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000573.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_2000573
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1898
_journal_page_last  1900
loop_
_publ_author_name
 'Yeap, G.-Y.'
 'Fun, H.-K.'
 'Teo, S.-B.'
 'Teoh, S.-G.'
_chemical_formula_sum  'C14 H12 N2 O2'
_chemical_formula_weight  240.26
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_cell_length_a  11.362(2)
_cell_length_b  9.9620(10)
_cell_length_c  22.113(3)
_cell_angle_alpha  90.
_cell_angle_beta  104.010(10)
_cell_angle_gamma  90.
_cell_volume  2428.5(7)
_cell_formula_units_Z  8
_cell_measurement_reflns_used  30
_cell_measurement_theta_min  35
_cell_measurement_theta_max  45
_cell_measurement_temperature  298
_exptl_crystal_description  'Needle'
_exptl_crystal_colour  'Yellow'
_exptl_crystal_size_max  0.3
_exptl_crystal_size_mid  0.2
_exptl_crystal_size_min  0.2
_exptl_crystal_size_rad  ?
_exptl_crystal_density_diffrn  1.314
_exptl_crystal_density_meas  1.309
_exptl_absorpt_coefficient_mu  0.08
_exptl_absorpt_correction_type  'empirical'
_exptl_absorpt_correction_T_min  0.8443
_exptl_absorpt_correction_T_max  0.9986
_diffrn_radiation_type  'MoK\a'
_diffrn_radiation_wavelength  0.71069
_diffrn_measurement_device  'Syntex P2~1~'
_diffrn_measurement_method  '2\q/\q'
_diffrn_reflns_number  2730
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_theta_max  52.2
_diffrn_reflns_limit_h_min  0
_diffrn_reflns_limit_h_max  10
_diffrn_reflns_limit_k_min  0
_diffrn_reflns_limit_k_max  14
_diffrn_reflns_limit_l_min  -12
_diffrn_reflns_limit_l_max  12
_diffrn_standards_number  1
_diffrn_standards_interval_count  50
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%  0
_reflns_number_total  2461
_reflns_number_observed  1840
_reflns_observed_criterion  I>2.5\s(I)
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs  0.0526
_refine_ls_wR_factor_obs  0.0610
_refine_ls_goodness_of_fit_obs  1.46
_refine_ls_number_reflns  1840
_refine_ls_number_parameters  175
_refine_ls_hydrogen_treatment  'refU'
_refine_ls_weighting_scheme  '3.0743/[\s^2^(F)+0.000531F^2^]'
_refine_ls_shift/esd_max  0.003
_refine_diff_density_max  0.214
_refine_diff_density_min  -0.171
_refine_ls_extinction_method  ?
_refine_ls_extinction_coef  ?
_atom_type_scat_source  'SHELX76'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 N1 .9206(2) .3023(2) .50040(10)
 N2 .7330(2) .2584(2) .31130(10)
 O1 .6546(2) .2153(2) .26870(10)
 O2 .7374(2) .3757(2) .32720(10)
 C1 .8939(2) .1885(2) .40460(10)
 C2 .8305(2) .16740(10)
       .34290(10)
 C3 .8549(2) .0615(2) .30760(10)
 C4 .9446(2) -.0277(2) .33330(10)
 C5 1.0078(2) -.0119(2) .39450(10)
 C6 .9831(2) .0946(2) .42900(10)
 C7 .8705(2) .2970(2) .44530(10)
 C8 .8995(2) .4069(2) .53980(10)
 C9 .9679(2) .4047(2) .60090(10)
 C10 .9524(2) .5017(2) .64270(10)
 C11 .8690(2) .6032(2) .62560(10)
 C12 .8016(2) .6056(2) .56470(10)
 C13 .8165(2) .5094(2) .52230(10)
 C14 .8509(3) .7091(3) .67150(10)
 H3 .8091(2) .0504(2) .26530(10)
 H4 .9636(2) -.1007(2) .30890(10)
 H5 1.0694(2) -.0754(2) .41330(10)
 H6 1.0282(2) .1042(2) .47150(10)
 H7 .8151(2) .3672(2) .42740(10)
 H9 1.0266(2) .3348(2) .61420(10)
 H10 1.0007(2) .4983(2) .68480(10)
 H12 .7430(2) .6758(2) .55180(10)
 H13 .7692(2) .5144(2) .48000(10)
 H14A) .9047(2) .6928(2) .71150(10)
 H14B .7685(2) .7055(2) .67510(10)
 H14C .8671(2) .7963(2) .65680(10)