#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004777.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_2004777
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	1019
_journal_page_last    	1022
_publ_section_title    	
;
A Non-Peptide Angiotensin II Receptor Antagonist:
2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]
methyl}-1H-imidazo[4,5-b]pyridine
;
_chemical_formula_moiety    	'C33 H33 N7 O2'
_chemical_formula_sum    	'C33 H33 N7 O2'
_chemical_formula_weight    	559.66
_symmetry_cell_setting    	Orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, z'
'x, -y+1/2, z+1/2'
'x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, -z'
'-x, y-1/2, -z-1/2'
'-x-1/2, -y, z-1/2'
_symmetry_space_group_name_H-M    	'P b c a'
_cell_length_a    	20.738(7)
_cell_length_b    	9.791(3)
_cell_length_c    	30.251(10)
_cell_angle_alpha    	90.
_cell_angle_beta    	90.
_cell_angle_gamma    	90.
_cell_volume    	6142.4(33)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.210
_exptl_crystal_density_meas    	1.20
_cell_measurement_temperature    	291(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 0.7344(5) 0.0498(11) 0.6032(4) 0.068(3)
C2 1 0.7056(7) 0.0772(14) 0.5629(5) 0.063(4)
N3 1 0.6453(5) 0.0269(12) 0.5612(3) 0.069(3)
C4 1 0.5811(6) -0.0953(13) 0.6222(5) 0.067(4)
H4 1 0.5435(6) -0.1111(13) 0.6062(5) 0.081
C5 1 0.5847(7) -0.1331(13) 0.6662(4) 0.061(4)
C6 1 0.6429(7) -0.1171(14) 0.6872(4) 0.061(4)
N7 1 0.6969(5) -0.0638(10) 0.6691(4) 0.062(3)
C8 1 0.6888(7) -0.0217(15) 0.6282(5) 0.071(4)
C9 1 0.6322(7) -0.0354(15) 0.6024(4) 0.064(4)
C10 1 0.7958(6) 0.0949(15) 0.6199(4) 0.075(4)
H10A 1 0.7907(6) 0.1183(15) 0.6509(4) 0.090
H10B 1 0.8080(6) 0.1776(15) 0.6044(4) 0.090
C11 1 0.8503(6) -0.0070(14) 0.6159(4) 0.058(4)
C12 1 0.8520(7) -0.1313(16) 0.6401(4) 0.070(4)
H12 1 0.8179(7) -0.1506(16) 0.6591(4) 0.084
C13 1 0.9006(6) -0.2231(15) 0.6371(4) 0.065(4)
H13 1 0.8987(6) -0.3037(15) 0.6533(4) 0.078
C14 1 0.9543(6) -0.1970(13) 0.6093(4) 0.054(3)
C15 1 0.9520(7) -0.0766(14) 0.5860(4) 0.070(4)
H15 1 0.9868(7) -0.0564(14) 0.5678(4) 0.084
C16 1 0.9027(7) 0.0160(14) 0.5874(4) 0.068(4)
H16 1 0.9038(7) 0.0935(14) 0.5696(4) 0.082
C17 1 1.0089(6) -0.2883(14) 0.6065(5) 0.066(4)
C18 1 1.0355(7) -0.3415(16) 0.6454(5) 0.081(5)
H18 1 1.0182(7) -0.3158(16) 0.6725(5) 0.098
C19 1 1.0871(9) -0.4317(18) 0.6443(6) 0.105(6)
H19 1 1.1023(9) -0.4690(18) 0.6706(6) 0.126
C20 1 1.1168(9) -0.4674(17) 0.6042(7) 0.107(6)
H20 1 1.1534(9) -0.5221(17) 0.6035(7) 0.128
C21 1 1.0890(7) -0.4175(18) 0.5656(6) 0.089(5)
H21 1 1.1059(7) -0.4432(18) 0.5383(6) 0.107
C22 1 1.0366(8) -0.3304(15) 0.5671(5) 0.075(5)
C23 1 1.0072(8) -0.2920(18) 0.5241(5) 0.078(5)
N24 1 1.0337(7) -0.2333(14) 0.4904(6) 0.098(5)
N25 1 0.9868(10) -0.2193(14) 0.4593(4) 0.108(5)
N26 1 0.9338(7) -0.2800(15) 0.4723(5) 0.103(5)
N27 1 0.9464(7) -0.3240(11) 0.5133(4) 0.081(4)
H27 1 0.9196(7) -0.3663(11) 0.5301(4) 0.098
C28 1 0.7364(8) 0.1451(15) 0.5254(4) 0.091(5)
H28A 1 0.7673(8) 0.2111(15) 0.5365(4) 0.109
H28B 1 0.7038(8) 0.1948(15) 0.5090(4) 0.109
C29 1 0.7700(7) 0.0495(17) 0.4948(4) 0.095(5)
H29A 1 0.7393(7) -0.0155(17) 0.4830(4) 0.114
H29B 1 0.8026(7) -0.0010(17) 0.5110(4) 0.114
C30 1 0.8018(10) 0.1274(21) 0.4569(6) 0.149(8)
H30A 1 0.7694(10) 0.1769(21) 0.4402(6) 0.179
H30B 1 0.8326(10) 0.1927(21) 0.4685(6) 0.179
C31 1 0.8351(9) 0.0269(24) 0.4278(6) 0.180(10)
H31A 1 0.8703(42) -0.0140(107) 0.4436(17) 0.216
H31B 1 0.8513(59) 0.0728(34) 0.4020(23) 0.216
H31C 1 0.8052(20) -0.0428(80) 0.4190(37) 0.216
C32 1 0.5254(8) -0.1824(18) 0.6875(5) 0.081(5)
C33 1 0.5034(9) -0.1229(16) 0.7271(5) 0.085(5)
H33 1 0.5284(9) -0.0547(16) 0.7400(5) 0.102
C34 1 0.4477(10) -0.1594(21) 0.7477(7) 0.113(6)
H34 1 0.4346(10) -0.1151(21) 0.7733(7) 0.136
C35 1 0.4107(10) -0.2639(25) 0.7297(8) 0.133(9)
H35 1 0.3743(10) -0.2968(25) 0.7442(8) 0.159
C36 1 0.4297(10) -0.3165(22) 0.6898(7) 0.144(8)
H36 1 0.4032(10) -0.3793(22) 0.6756(7) 0.172
C37 1 0.4878(9) -0.2787(18) 0.6698(6) 0.107(6)
H37 1 0.5005(9) -0.3214(18) 0.6438(6) 0.128
C38 1 0.6538(10) -0.1801(18) 0.7334(5) 0.100(6)
H38 1 0.6147(10) -0.2225(18) 0.7453(5) 0.120
O39 1 0.6760(6) -0.0762(12) 0.7598(4) 0.124(4)
C40 1 0.6905(11) -0.1196(25) 0.8045(5) 0.220(12)
H40A 1 0.7027(79) -0.0418(36) 0.8218(16) 0.264
H40B 1 0.7252(57) -0.1842(135) 0.8039(7) 0.264
H40C 1 0.6530(28) -0.1615(158) 0.8172(20) 0.264
O41 1 0.7056(6) -0.2737(14) 0.7301(4) 0.115(4)
C42 1 0.6860(13) -0.3952(25) 0.7440(8) 0.232(14)
H42A 1 0.7197(32) -0.4610(44) 0.7393(54) 0.279
H42B 1 0.6483(49) -0.4220(81) 0.7278(40) 0.279
H42C 1 0.6760(82) -0.3907(52) 0.7749(15) 0.279