#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/02/2000255.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000255
loop_
_publ_author_name
'Bird, C. W.'
'Nyburg, S. C.'
'Parkins, A. W.'
_publ_section_title
;
 2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1943
_journal_page_last               1945
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H13 N3 O'
_chemical_formula_weight         215.25
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.79(3)
_cell_angle_beta                 106.01(4)
_cell_angle_gamma                90.39(4)
_cell_formula_units_Z            2
_cell_length_a                   6.678(3)
_cell_length_b                   9.635(3)
_cell_length_c                   9.947(5)
_cell_volume                     553.0
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.655
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_F_000             228
_[local]_cod_data_source_file    li0065.cif
_[local]_cod_data_source_block   li0065a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 .7019(3) 1.0479(2) .4118(2)
C2 .7778(3) 1.3057(2) .6229(2)
C3 .5445(4) 1.3161(3) .5735(3)
C4 .4332(3) 1.2213(3) .4037(3)
C5 .4467(3) .9680(2) .1834(2)
C6 .2748(4) .9452(3) .0580(3)
C7 .2465(4) .8087(3) -.0753(3)
C8 .3858(4) .7037(3) -.0819(3)
C9 .5592(4) .7283(3) .0442(3)
C10 .5895(3) .8634(2) .1792(2)
C11 .8968(4) 1.3840(3) .5576(3)
C12 .8668(5) 1.3790(3) .7998(3)
N1 .8020(3) 1.14045(19) .56287(19)
N2 .5203(2) 1.08913(18) .33521(18)
N3 .7498(3) .91611(19) .32327(19)
O1 .2778(3) 1.2511(2) .3293(2)
H1 .933(4) 1.121(3) .596(3)
H3A .523(3) 1.421(3) .599(2)
H3B .470(3) 1.281(3) .630(3)
H6 .179(4) 1.020(3) .066(3)
H7 .123(4) .784(3) -.163(3)
H8 .362(4) .610(3) -.179(3)
H9 .660(4) .659(3) .039(3)
H11A 1.054(4) 1.370(3) .585(3)
H11B .882(4) 1.501(3) .599(3)
H11C .836(4) 1.335(3) .436(3)
H12A .789(4) 1.331(3) .844(3)
H12B 1.020(4) 1.375(3) .827(3)
H12C .850(4) 1.494(3) .844(3)
_cod_database_code 2000255