data_2000369
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2177
_journal_page_last  2181
loop_
_publ_author_name
 'Eggleston, D.S.'
 'Baures, P.W.'
 'Grabowska, U.'
 'Marson, C.M.'
 'Walsgrove, T.'
_chemical_formula_sum  'C13 H15 N1 O1'
_chemical_formula_weight  201.27
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  8.121(5)
_cell_length_b  16.257(4)
_cell_length_c  8.686(2)
_cell_angle_alpha  90.
_cell_angle_beta  107.65(2)
_cell_angle_gamma  90.
_cell_volume  1092.7(7)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.223
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  432
_exptl_absorpt_coefficient_mu  0.0721
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O2 -.0772(2) .03603(9) .2891(2)
 N1 .1496(2) .08343(9) .4959(2)
 C2 .0432(2) .08370(10)
       .3453(2)
 C3 .0979(3) .15260(10)
       .2555(2)
 C3A .2795(3) .17480(10)
        .3606(2)
 C4 .4155(3) .12570(10)
       .3122(2)
 C5A .5981(2) .12010(10)
        .5999(2)
 C5 .5966(3) .13550(10)
       .4269(2)
 C6 .7524(3) .09860(10)
       .7149(3)
 C7 .7591(3) .08100(10)
       .8710(3)
 C8 .6133(3) .08520(10)
       .9175(2)
 C9A .4489(2) .12490(10)
        .6466(2)
 C9 .4593(3) .10740(10)
       .8070(2)
 C9B .2780(2) .15020(10)
        .5312(2)
 C10 .6762(3) .2184(2) .4089(3)
 H1 .132(2) .0500(10)
        .568(2)
 H2 .016(3) .1930(10)
        .240(2)
 H3 .085(2) .1360(10)
        .141(2)
 H4 .304(2) .2330(10)
        .357(2)
 H5 .227(2) .1920(10)
        .583(2)
 H6 .354(2) .1120(10)
        .830(2)
 H7 .625(2) .0710(10)
        1.028(2)
 H8 .848(2) .1000(10)
        .672(2)
 H9 .859(2) .0660(10)
        .948(2)
 H10 .690(3) .1000(10)
      .395(2)
 H11 .412(2) .1450(10)
      .198(2)
 H12 .382(2) .0650(10)
      .310(2)
 H13 .678(3) .222(2) .294(3)
 H14 .800(3) .2210(10)
      .484(3)
 H15 .590(3) .265(2) .427(3)