#------------------------------------------------------------------------------
#$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2003646.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_2003646
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year        1995
_journal_page_first    	1404
_journal_page_last    	1407
_publ_section_title
;
An Unexpected Intermediate in the Synthesis of Substituted Pyridones
;
_chemical_formula_moiety    	'C15 H20 N2 O3'
_chemical_formula_sum    	'C15 H20 N2 O3'
_chemical_formula_weight    	276.3
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2+x,1/2-y,z'
    '-x,-y,-z'
    '1/2-x,1/2+y,-z'
_symmetry_space_group_name_H-M    	'P 21/a'
_cell_length_a    	9.248(2)
_cell_length_b    	16.521(4)
_cell_length_c    	10.359(2)
_cell_angle_alpha    	90.
_cell_angle_beta    	109.31(1)
_cell_angle_gamma    	90.
_cell_volume    	1493.7(6)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.2
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'CuK\a'
_diffrn_radiation_wavelength    	1.540598
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	15
_cell_measurement_theta_max    	22
_exptl_absorpt_coefficient_mu    	0.67
_cell_measurement_temperature    	294
_exptl_crystal_description    	'plate'
_exptl_crystal_size_max    	0.4
_exptl_crystal_size_mid    	0.4
_exptl_crystal_size_min    	0.03
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'colorless'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Rigaku AFC5R RU200'
_diffrn_measurement_method    	'\q-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	2476
_reflns_number_total    	2224
_reflns_number_observed    	1529
_reflns_observed_criterion    	F>=4\s(F)
_diffrn_reflns_av_R_equivalents    	0.02
_diffrn_reflns_theta_max    	120
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	10
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	18
_diffrn_reflns_limit_l_min    	-11
_diffrn_reflns_limit_l_max    	10
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	150
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	none
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.052
_refine_ls_wR_factor_obs    	0.035
_refine_ls_goodness_of_fit_obs    	2.43
_refine_ls_number_reflns    	1529
_refine_ls_number_parameters    	181
_refine_ls_hydrogen_treatment    	?
_refine_ls_weighting_scheme    	'w = 1/\s^2^(F)'
_refine_ls_shift/esd_max    	0.006
_refine_diff_density_max    	0.25
_refine_diff_density_min    	-0.19
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'SHELXTL-Plus (Sheldrick, 1990)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    O(1) .1969(2) .8675(1) .0022(2) .048(1)
    O(2) -.0063(3) .7331(1) -.1773(2) .075(1)
    O(1W) .0607(2) .5686(1) -.1286(3) .092(1)
    N(1) -.0059(3) .9778(2) -.2106(3) .052(1)
    N(2) .2565(3) .9894(2) -.1526(3) .054(1)
    C(1) .1458(3) .8529(2) -.1418(3) .042(1)
    C(2) -.0078(4) .8078(2) -.1812(3) .052(1)
    C(3) -.1383(4) .8563(2) -.2061(3) .066(2)
    C(4) -.1303(4) .9388(2) -.2107(3) .064(2)
    C(5) .1314(3) .9339(2) -.2149(3) .044(1)
    C(6) .1160(4) .9170(2) -.3645(3) .070(2)
    C(7) .0241(4) 1.0646(2) -.1961(4) .067(2)
    C(8) .1893(4) 1.0709(2) -.1907(4) .070(2)
    C(9) .2643(5) .7974(2) .0784(3) .086(2)
    C(10) .3365(4) .8200(2) .2264(4) .060(2)
    C(11) .2911(4) .7787(2) .3215(4) .074(2)
    C(12) .3584(6) .7977(3) .4597(5) .097(3)
    C(13) .4642(6) .8565(3) .4969(5) .116(3)
    C(14) .5069(5) .8975(3) .4034(6) .110(3)
    C(15) .4419(5) .8788(2) .2666(5) .080(2)
    H(1WA) .0504 .6246 -.1280 .080
    H(1WB) -.0324 .5491 -.1391 .080
    H(2N) .2836 .9836 -.0686 .080
    H(1A) .2185 .8184 -.1624 .080
    H(3A) -.2348 .8320 -.2203 .080
    H(4A) -.2130 .9707 -.2146 .080
    H(6A) .1128 .9691 -.4179 .080
    H(6B) .2055 .8881 -.3655 .080
    H(6C) .0271 .8866 -.4109 .080
    H(7A) -.0454 1.0957 -.2733 .080
    H(7B) .0118 1.0852 -.1094 .080
    H(8A) .2540 1.1121 -.1235 .080
    H(8B) .1991 1.0868 -.2765 .080
    H(9A) .3473 .7883 .0472 .080
    H(9B) .1709 .7478 .0559 .080
    H(11A) .2140 .7386 .2958 .080
    H(12A) .3307 .7656 .5242 .080
    H(13A) .5037 .8676 .5897 .080
    H(14A) .5771 .9442 .4222 .080
    H(15A) .4660 .9115 .1948 .080