data_2000823
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1048
_journal_page_last  1051
loop_
_publ_author_name
 'Priya, V.'
 'Shamala, N.'
 'Viswamitra, M.A.'
 'Senthil Kumar, U.P.'
 'Jeyaraman, R.'
_chemical_formula_sum  'C17 H17 N3 O2'
_chemical_formula_weight  295.34
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.6590(10)
_cell_length_b  12.7410(10)
_cell_length_c  15.0950(10)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1473.19(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.32
_exptl_crystal_density_meas  1.33
_exptl_crystal_F_000  624
_exptl_absorpt_coefficient_mu  0.68
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N(1) -.0576(2) .23850(10)
       .27350(10)
          .0283(4)
 C(2) .1221(3) .2137(2) .24500(10)
         .0303(6)
 C(3) .2181(3) .1481(2) .31410(10)
         .0352(6)
 N(4) .2056(3) .1940(2) .40230(10)
         .0353(5)
 C(5) .0577(3) .1918(2) .44930(10)
         .0314(5)
 O(1) .0418(2) .23880(10)
         .52040(10)
         .0425(5)
 C(6) -.0879(4) .1267(3) .4112(2) .0350(6)
 C(7) -.1766(3) .1764(2) .33010(10)
          .0289(5)
 C(8) .1345(3) .1657(2) .15270(10)
         .0341(6)
 C(9) .2172(4) .2218(2) .0863(2) .0498(8)
 C(10) .2436(5) .1777(3) .0036(2) .0663(11)
 C(11) .1819(5) .0780(3) -.0135(2) .0674(11)
 C(12) .0987(4) .0221(3) .0515(2) .0598(9)
 C(13) .0753(4) .0654(2) .1351(2) .0429(7)
 C(14) -.2844(3) .0975(2) .27630(10)
           .0319(6)
 C(15) -.3499(3) .0071(2) .3148(2) .0400(6)
 C(16) -.4525(4) -.0620(2) .2663(2) .0516(8)
 C(17) -.4905(4) -.0416(2) .1788(2) .0535(9)
 C(18) -.4299(4) .0491(3) .1409(2) .0558(9)
 C(19) -.3276(4) .1179(2) .1888(2) .0467(7)
 N(20) -.1305(3) .32840(10)
        .24800(10)
           .0394(5)
 O(2) -.0431(3) .38160(10)
       .19630(10)
          .0505(5)
 HC2 .173(3)   .277(2)   .2424(17) ?
 H1C3 .344(4)   .1444(19) .2959(16) ?
 H2C3 .173(4)   .076(2)   .3149(17) ?
 HN4 .303(4)   .232(2)   .4270(19) ?
 H1C6 -.035(3)   .057(2)   .3988(17) ?
 H2C6 -.178(4)   .118(2)   .4589(18) ?
 HC7 -.259(4)   .232(2)   .3528(16) ?
 HC9 .264(5)   .293(3)   .098(2)   ?
 HC10 .296(5)   .222(3)   -.049(3)   ?
 HC11 .199(4)   .056(2)   -.072(2)   ?
 HC12 .058(4)   -.050(3)   .041(2)   ?
 HC13 .018(4)   .026(2)   .1788(19) ?
 HC15 -.334(4)   -.007(3)   .375(2)   ?
 HC16 -.485(5)   -.127(3)   .295(2)   ?
 HC17 -.561(5)   -.089(3)   .142(2)   ?
 HC18 -.450(4)   .062(2)   .078(2)   ?
 HC19 -.285(5)   .176(3)   .165(2)   ?