#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004782.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_2004782
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	949
_journal_page_last    	951
_publ_section_title
;
N,N-Bis(2-hydroxybenzyl)-N-(2-pyridylmethyl)amine, H~2~BBPA
;
_chemical_formula_sum    	'C20 H20 N2 O2'
_chemical_formula_weight    	320.39
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,0.5+y,-z'
_cell_length_a    	11.494(1)
_cell_length_b    	6.263(1)
_cell_length_c    	12.479(1)
_cell_angle_alpha    	90.00
_cell_angle_beta    	111.01(1)
_cell_angle_gamma    	90.00
_cell_volume    	838.6(2)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.269
_cell_measurement_temperature    	298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 0.0470(5) 0.7879 0.2200(5) 5.3(2)
O2 0.3980(5) 0.857(1) 0.4080(5) 5.1(2)
N1 0.2353(6) 0.695(1) 0.5034(5) 4.1(2)
N2 0.2045(5) 0.459(1) 0.3100(5) 3.4(2)
C1 0.2512(8) 0.831(2) 0.5937(7) 5.1(3)
C2 0.1977(8) 0.774(2) 0.6779(7) 5.5(3)
C3 0.1352(8) 0.584(2) 0.6686(8) 5.1(2)
C4 0.1179(8) 0.449(2) 0.5751(7) 4.9(2)
C5 0.1703(7) 0.514(2) 0.4930(7) 4.0(2)
C6 0.1500(7) 0.370(2) 0.3900(6) 4.2(2)
C7 0.1453(7) 0.362(2) 0.1938(6) 3.9(2)
C8 0.0099(6) 0.427(1) 0.1381(6) 3.2(2)
C9 -0.0740(7) 0.278(2) 0.0670(6) 4.1(2)
C10 -0.1996(8) 0.340(2) 0.0065(7) 5.1(2)
C11 -0.2381(8) 0.549(2) 0.0196(7) 4.9(2)
C12 -0.1572(8) 0.696(2) 0.0911(7) 4.5(2)
C13 -0.0311(7) 0.629(2) 0.1500(6) 3.9(2)
C14 0.3416(7) 0.410(2) 0.3527(7) 3.7(2)
C15 0.4073(7) 0.548(2) 0.2934(7) 4.0(2)
C16 0.4467(7) 0.458(2) 0.2071(7) 5.0(2)
C17 0.5173(8) 0.584(3) 0.1598(8) 6.8(3)
C18 0.5497(9) 0.800(2) 0.1964(9) 7.4(3)
C19 0.5105(8) 0.882(2) 0.2835(8) 5.5(3)
C20 0.4367(7) 0.761(2) 0.3266(7) 4.6(2)
H(O1) 0.1170 0.6872 0.2679 6.89
H(O2) 0.3363 0.7559 0.4242 6.63
H1 0.2966 0.9601 0.6006 6.83
H2 0.2146 0.8805 0.7503 7.15
H3 0.1058 0.5484 0.7433 6.63
H4 0.0539 0.2934 0.5612 6.37
H6 0.1706 0.2072 0.4051 5.46
H6' 0.0605 0.3288 0.3495 5.46
H7 0.1899 0.4096 0.1428 5.07
H7' 0.1638 0.1928 0.1871 5.07
H9 -0.0603 0.1067 0.0484 5.33
H10 -0.2571 0.2409 -0.0424 6.63
H11 -0.3219 0.5896 -0.0217 6.37
H12 -0.1858 0.8526 0.1171 5.85
H14 0.3788 0.4560 0.4462 4.81
H14' 0.3593 0.2626 0.3372 4.81
H16 0.4082 0.2832 0.1791 6.50
H17 0.5441 0.5251 0.1024 8.84
H18 0.6022 0.8475 0.1409 9.62
H19 0.5358 1.0472 0.3088 7.15