data_2000821
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1041
_journal_page_last  1043
loop_
_publ_author_name
 'Bocelli, G.'
 'Cantoni, A.'
 'Tosi, G.'
_chemical_formula_sum  'C18 H22 N4'
_chemical_formula_weight  294.40
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  13.490(3)
_cell_length_b  7.734(2)
_cell_length_c  8.211(3)
_cell_angle_alpha  90.
_cell_angle_beta  97.60(4)
_cell_angle_gamma  90.
_cell_volume  849.6(4)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.15
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  316
_exptl_absorpt_coefficient_mu  0.066
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N1 .2881(2) .0606(5) .0359(4) .0508(11)
 N2 .3804(2) -.0296(4) .0496(4) .0493(12)
 C1 .2296(2) .0056(5) .1544(5) .0465(12)
 C2 .1273(3) .0446(6) .1384(6) .0631(17)
 C3 .0718(4) -.0003(8) .2604(7) .077(2)
 C4 .1144(4) -.0797(9) .3999(9) .084(3)
 C5 .2149(4) -.1179(6) .4195(7) .068(2)
 C6 .2721(3) -.0738(6) .2990(5) .0527(14)
 C7 .2375(4) .0899(9) -.1293(7) .071(2)
 C8 .4531(3) .0507(5) -.0049(5) .0464(14)
 C9 .4524(4) .2327(7) -.0683(8) .0707(19)
 H2 .096(3) .102(6) .031(6) .080(14)
 H3 .009(4) .037(6) .256(6) .091(16)
 H4 .085(4) -.124(6) .468(6) .077(17)
 H5 .254(4) -.161(6) .521(6) .068(14)
 H6 .339(4) -.114(6) .294(6) .073(14)
 H71 .276(3) .107(5) -.192(6) .053(14)
 H72 .193(4) .206(9) -.121(7) .112(19)
 H73 .184(5) -.004(8) -.149(7) .12(2)
 H91 .450(4) .233(6) -.195(6) .085(16)
 H92 .395(4) .299(6) -.013(6) .096(15)
 H93 .516(4) .293(7) -.056(7) .108(18)