#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000275.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_2000275
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1742
_journal_page_last  1744
loop_
_publ_author_name
 'Cody, V.'
 'Wojtczak, A.'
_chemical_formula_sum  'C11 H8 Br1 N3 O1'
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P-1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.827(2)
_cell_length_b  9.796(2)
_cell_length_c  15.548(4)
_cell_angle_alpha  76.53(2)
_cell_angle_beta  75.40(2)
_cell_angle_gamma  74.36(2)
_cell_volume  1093.4(4)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.689
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  552
_exptl_absorpt_coefficient_mu  3.7
_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
 Br(1) .68060(10)
    .10680(10)
    .04700(10)
 Br(2) .81660(10)
    .37610(10)
    .46540(10)
 C(1) .2491(9) .4808(6) .2613(4)
 C(2) .3504(10) .4139(7) .1915(4)
 N(3) .4766(9) .2903(6) .2058(4)
 C(4) .5178(10) .2200(7) .2884(4)
 C(5) .4060(10) .2871(7) .3619(4)
 C(6) .2792(10) .4118(6) .3496(4)
 O(4) .6383(8) .1098(5) .2935(3)
 C51 .4280(11) .2176(7) .4516(5)
 N52 .4476(11) .1642(7) .5231(4)
 C1' .1143(9) .6177(6) .2454(4)
 C2' .0953(11) .6850(7) .1574(5)
 C3' -.0301(11) .8145(7) .1438(5)
 N4' -.1310(8) .8757(6) .2133(4)
 C5' -.1125(10) .8151(7) .2978(5)
 C6' .0065(10) .6851(7) .3164(5)
 C1* .4353(9) .8040(6) .2449(4)
 C2* .4940(10) .7072(7) .3171(4)
 N3* .6192(8) .5872(5) .3056(4)
 C4* .6992(10) .5447(7) .2234(4)
 C5* .6382(10) .6458(7) .1475(4)
 C6* .5118(10) .7690(7) .1581(4)
 O4* .8124(8) .4304(5) .2186(3)
 C51* .7163(13) .6075(8) .0606(5)
 N52* .7776(14) .5760(9) -.0092(5)
 C1'* .2945(10) .9361(6) .2591(4)
 C2'* .2195(12) .9711(7) .3451(5)
 C3'* .0878(12) 1.0941(8) .3558(5)
 N4'* .0286(9) 1.1833(6) .2859(5)
 C5'* .0944(12) 1.1543(7) .2022(5)
 C6'* .2312(11) 1.0334(7) .1868(5)
 H(2) .328 .461 .124
 H(3) .556 .249 .147
 H(6) .199 .458 .408
 H2' .180 .635 .101
 H3' -.044 .871 .075
 H5' -.193 .869 .354
 H6' .020 .637 .385
 H2* .436 .731 .385
 H3* .662 .530 .353
 H6* .471 .844 .099
 H2'* .289 1.014 .118
 H3'* .040 1.229 .147
 H5'* .035 1.124 .423
 H6'* .265 .897 .403