#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/59/2005904.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_2005904
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  53
_journal_year       1997
_journal_page_first    	86
_journal_page_last    	88
_publ_section_title
;
 1,2-Diphenyl-3-benzylguanidine Hydrochloride
;
_chemical_formula_moiety    	'C20 H20 N3 +, Cl -'
_chemical_formula_sum    	'C20 H20 Cl N3'
_chemical_formula_weight    	337.84
_symmetry_cell_setting    	'triclinic'
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	7.9656(11)
_cell_length_b    	9.7996(10)
_cell_length_c    	12.036(2)
_cell_angle_alpha    	86.45(2)
_cell_angle_beta    	80.28(2)
_cell_angle_gamma    	77.45(2)
_cell_volume    	903.7(2)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.242
_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
    Cl 1 -0.20341(5) 0.58493(4) 0.62494(4) 0.0530(2)
    C1 1 0.0647(2) 0.8833(2) 0.64390(14) 0.0466(4)
    C2 1 0.1693(3) 0.9663(2) 0.5841(2) 0.0583(5)
    H2 1 0.2823(3) 0.9239(2) 0.5369(2) 0.055(5)
    C3 1 0.1135(4) 1.1122(2) 0.5910(2) 0.0797(8)
    H3 1 0.1881(4) 1.1748(2) 0.5495(2) 0.091(8)
    C4 1 -0.0442(4) 1.1694(3) 0.6551(2) 0.0870(8)
    H4 1 -0.0841(4) 1.2733(3) 0.6589(2) 0.112(9)
    C5 1 -0.1457(4) 1.0849(3) 0.7130(2) 0.0855(7)
    H5 1 -0.2598(4) 1.1271(3) 0.7591(2) 0.131(11)
    C6 1 -0.0929(3) 0.9425(2) 0.7086(2) 0.0657(6)
    H6 1 -0.1677(3) 0.8812(2) 0.7519(2) 0.103(9)
    C1' 1 0.3470(2) 0.7888(2) 0.78119(14) 0.0407(4)
    C2' 1 0.4398(3) 0.8931(2) 0.7772(2) 0.0531(5)
    H2' 1 0.5318(3) 0.9030(2) 0.7115(2) 0.056(5)
    C3' 1 0.4025(3) 0.9845(2) 0.8670(2) 0.0672(6)
    H3' 1 0.4685(3) 1.0607(2) 0.8653(2) 0.082(7)
    C4' 1 0.2769(3) 0.9709(2) 0.9568(2) 0.0666(6)
    H4' 1 0.2506(3) 1.0376(2) 1.0201(2) 0.091(8)
    C5' 1 0.1868(3) 0.8661(2) 0.9604(2) 0.0634(5)
    H5' 1 0.0954(3) 0.8562(2) 1.0266(2) 0.089(8)
    C6' 1 0.2221(2) 0.7740(2) 0.87266(15) 0.0513(5)
    H6' 1 0.1570(2) 0.6970(2) 0.87571(15) 0.068(6)
    N7 1 0.1093(2) 0.73502(14) 0.63669(12) 0.0452(4)
    HN7 1 0.0189(2) 0.68970(14) 0.62725(12) 0.059(5)
    C8 1 0.2658(2) 0.6532(2) 0.64188(13) 0.0393(4)
    N9 1 0.3853(2) 0.69343(14) 0.69067(11) 0.0413(3)
    HN9 1 0.5045(2) 0.65592(14) 0.66316(11) 0.062(6)
    N10 1 0.3022(2) 0.52695(15) 0.59742(12) 0.0476(4)
    HN10 1 0.2521(2) 0.51412(15) 0.53362(12) 0.081(7)
    C11 1 0.4173(2) 0.4070(2) 0.6437(2) 0.0512(5)
    H11A 1 0.5391(2) 0.4226(2) 0.6302(2) 0.055(5)
    H11B 1 0.4168(2) 0.3207(2) 0.6036(2) 0.067(6)
    C12 1 0.3605(2) 0.3858(2) 0.7681(2) 0.0484(4)
    C13 1 0.4750(3) 0.3764(2) 0.8436(2) 0.0666(6)
    H13 1 0.5990(3) 0.3824(2) 0.8164(2) 0.084(7)
    C14 1 0.4158(5) 0.3583(2) 0.9596(2) 0.0893(9)
    H14 1 0.4991(5) 0.3487(2) 1.0146(2) 0.128(11)
    C15 1 0.2455(5) 0.3537(3) 0.9975(2) 0.0960(9)
    H15 1 0.2041(5) 0.3426(3) 1.0801(2) 0.119(10)
    C16 1 0.1325(4) 0.3643(3) 0.9231(2) 0.0873(8)
    H16 1 0.0079(4) 0.3608(3) 0.9511(2) 0.128(11)
    C17 1 0.1883(3) 0.3798(2) 0.8095(2) 0.0642(5)
    H17 1 0.1037(3) 0.3870(2) 0.7556(2) 0.081(7)
_cod_database_code 2005904