#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001990.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_2001990
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 354
_journal_page_last 355
loop_
_publ_author_name
'Shoja, M.'
'Saba, S.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C8 H12 N4'
_chemical_formula_weight 164.21
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_space_group_name_Hall ?
_cell_length_a 8.303(14)
_cell_length_b 8.7330(10)
_cell_length_c 12.998(2)
_cell_angle_alpha  90
_cell_angle_beta 107.73(2)
_cell_angle_gamma  90
_cell_volume 897.7(4)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.21
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 352
_exptl_absorpt_coefficient_mu 0.63
_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
N(1) .5997(2) .1089(2) .42130(10)
N(2) 1.0267(3) .3770(2) .27590(10)
N(3) .8891(2) .1775(2) .46320(10)
N(4) .3418(2) .1822(2) .16190(10)
C(2) .7417(2) .1249(2) .37810(10)
C(4) .8595(2) .3275(2) .50480(10)
C(5) .7066(2) .3201(2) .54490(10)
C(6) .5558(2) .2569(2) .45830(10)
C(7) 1.0385(2) .1755(2) .4280(2)
C(8) 1.0339(2) .2874(2) .3406(2)
C(9) .4559(2) .0342(2) .34530(10)
C(10) .3882(2) .1173(2) .24080(10)
H1C7 1.053(2) .077(2) .4030(10)
H2C7 1.136(2) .203(2) .4890(10)
H1C4 .842(2) .404(2) .4490(10)
H2C4 .962(2) .355(2) .5630(10)
H1C5 .680(2) .426(2) .5670(10)
H2C5 .740(2) .254(2) .6150(10)
H1C6 .458(2) .243(2) .4870(10)
H2C6 .519(2) .338(2) .3950(10)
H1C9 .362(2) .019(2) .3790(10)
H2C9 .492(2) -.070(2) .3270(10)
H1C2 .712(2) .205(2) .3150(10)
H2C2 .766(2) .025(2) .3520(10)