#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/54/2005483.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_2005483
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2586
_journal_page_last    	2588
_publ_section_title
;
trans- and cis-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
;
_chemical_formula_iupac    	'C18 H18 N2 O2'
_chemical_formula_moiety    	'C18 H18 N2 O2'
_chemical_formula_sum    	'C18 H18 N2 O2'
_chemical_formula_weight    	294.34
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a    	21.519(3)
_cell_length_b    	5.5068(4)
_cell_length_c    	16.422(2)
_cell_angle_alpha    	90.
_cell_angle_beta    	128.692(12)
_cell_angle_gamma    	90.
_cell_volume    	1519.0(4)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.287
_cell_measurement_temperature    	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    N1 1 0.79474(8) 0.5620(3) 0.49479(10) 0.0393(4)
    C2 1 0.67111(9) 0.7583(3) 0.44457(12) 0.0358(4)
    C3 1 0.70771(9) 0.5527(3) 0.42692(11) 0.0366(4)
    H3 1 0.69255(9) 0.4002(3) 0.44107(11) 0.044
    O21 1 0.59113(6) 0.7299(2) 0.38262(9) 0.0480(4)
    C22 1 0.54685(10) 0.9118(4) 0.38904(14) 0.0540(5)
    H22A 1 0.4917(2) 0.8667(12) 0.3453(8) 0.081
    H22B 1 0.5524(6) 1.0648(6) 0.3661(10) 0.081
    H22C 1 0.5668(5) 0.9260(17) 0.4599(2) 0.081
    C1' 1 0.67400(9) 0.5494(3) 0.31318(12) 0.0352(4)
    C2' 1 0.62366(10) 0.3659(3) 0.24673(13) 0.0469(5)
    H2' 1 0.61008(10) 0.2420(3) 0.27148(13) 0.056
    C3' 1 0.59333(11) 0.3655(4) 0.14362(15) 0.0564(6)
    H3' 1 0.55944(11) 0.2413(4) 0.09939(15) 0.068
    C4' 1 0.61297(11) 0.5473(4) 0.10616(14) 0.0530(5)
    H4' 1 0.59260(11) 0.5460(4) 0.03681(14) 0.064
    C5' 1 0.66271(11) 0.7308(4) 0.17132(14) 0.0502(5)
    H5' 1 0.67604(11) 0.8544(4) 0.14616(14) 0.060
    C6' 1 0.69309(10) 0.7319(3) 0.27455(13) 0.0443(5)
    H6' 1 0.72673(10) 0.8570(3) 0.31838(13) 0.053
_cod_database_code 2005483