data_2005512
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2617
_journal_page_last    	2619
_publ_section_title    	
;
Benzamidine
;
_chemical_formula_sum    	'C7 H8 N2'
_chemical_formula_weight    	120.16
_symmetry_cell_setting    	tetragonal
loop_
_symmetry_equiv_pos_as_xyz
    'X,Y,Z'
    'X+1/2,Y+1/2,Z+1/2'
    'Y,-X,-Z'
    'Y+1/2,-X+1/2,-Z+1/2'
    '-X,-Y,Z'
    '-X+1/2,-Y+1/2,Z+1/2'
    '-Y,X,-Z'
    '-Y+1/2,X+1/2,-Z+1/2'
_symmetry_space_group_name_H-M    	'I -4'
_cell_length_a    	15.7353(20)
_cell_length_b    	15.7353
_cell_length_c    	5.2803(17)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1307.28
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.22
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
    N(11) 1.0000 0.6083(1) 0.0980(1) 0.5984(4) 0.0493
    N(12) 1.0000 0.5936(2) 0.1243(2) 1.0312(4) 0.0563
    C(1) 1.0000 0.6400(1) 0.1131(1) 0.8199(4) 0.0418
    C(2) 1.0000 0.7339(1) 0.1207(1) 0.8436(4) 0.0399
    C(3) 1.0000 0.7707(2) 0.1663(2) 1.0408(5) 0.0518
    C(4) 1.0000 0.8582(2) 0.1761(2) 1.0517(6) 0.0587
    C(5) 1.0000 0.9090(2) 0.1400(2) 0.8690(5) 0.0621
    C(6) 1.0000 0.8729(2) 0.0938(2) 0.6738(6) 0.0620
    C(7) 1.0000 0.7858(2) 0.0842(2) 0.6632(5) 0.0508
    H(3) 1.0000 0.734(2) 0.190(2) 1.168(6) 0.068(8)
    H(4) 1.0000 0.882(2) 0.208(2) 1.197(7) 0.077(8)
    H(5) 1.0000 0.969(2) 0.146(2) 0.883(6) 0.074(9)
    H(6) 1.0000 0.912(2) 0.072(2) 0.533(7) 0.09(1)
    H(7) 1.0000 0.760(2) 0.055(2) 0.526(5) 0.065(8)
    H(11) 1.0000 0.553(2) 0.095(1) 0.606(5) 0.050(7)
    H(121) 1.0000 0.540(2) 0.126(2) 1.032(6) 0.07(1)
    H(122) 1.0000 0.616(2) 0.123(2) 1.173(7) 0.058(7)