#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005329.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_2005329
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_journal_volume  C52
_journal_page_first  2281
_journal_page_last  2282
_publ_section_title
;
1-(4-Chlorophenyl)-3a-methyl-5-phenyl-
3a,4-dihydro-1,2,4-oxadiazolo[4,5-a][1,5]benzodiazepine
;
_chemical_formula_sum  'C23 H18 Cl1 N3 O1'
_chemical_formula_weight  387.87
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_h-m  'P 21/c'
_cell_length_a  19.685(1)
_cell_length_b  11.023(2)
_cell_length_c  8.881(3)
_cell_angle_alpha  90.0(2)
_cell_angle_beta  98.4(3)
_cell_angle_gamma  90.0(3)
_cell_volume  1907(2)
_cell_formula_units_z  4.00
_exptl_crystal_density_diffrn  1.35
_cell_measurement_temperature  294
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Cl 0.98072(4) 0.2467(1) 0.0485(1) 0.0912(3)
 O3 1.34408(9) -0.0883(2) 0.2441(2) 0.0434(5)
 N2 1.2891(1) -0.0133(2) 0.1713(2) 0.0402(6)
 N6 1.2894(1) 0.1202(2) 0.5546(2) 0.0380(6)
 N11 1.2555(1) -0.0964(2) 0.3798(2) 0.0338(5)
 C1 1.2415(1) -0.0193(2) 0.2563(3) 0.0342(6)
 C3a 1.3293(1) -0.1225(2) 0.3926(3) 0.0375(7)
 C4 1.3709(1) -0.0408(2) 0.5142(3) 0.0397(7)
 C5 1.3455(1) 0.0892(2) 0.5081(2) 0.0350(7)
 C6a 1.2474(1) 0.0294(2) 0.6057(3) 0.0363(7)
 C7 1.2202(1) 0.0477(2) 0.7392(3) 0.0478(8)
 C8 1.1766(1) -0.0375(3) 0.7885(3) 0.0510(8)
 C9 1.1593(1) -0.1412(3) 0.7051(3) 0.0507(8)
 C10 1.1864(1) -0.1609(2) 0.5713(3) 0.0424(7)
 C10a 1.2290(1) -0.0754(2) 0.5207(2) 0.0355(7)
 C12 1.3463(1) -0.2555(2) 0.4181(3) 0.0492(8)
 C13 1.3880(1) 0.1866(2) 0.4508(3) 0.0362(7)
 C14 1.4406(1) 0.1608(3) 0.3686(3) 0.0496(8)
 C15 1.4796(2) 0.2534(3) 0.3192(3) 0.062(1)
 C16 1.4663(2) 0.3727(3) 0.3529(3) 0.0634(9)
 C17 1.4137(2) 0.3998(3) 0.4327(3) 0.0586(9)
 C18 1.3747(1) 0.3073(2) 0.4822(3) 0.0476(8)
 C19 1.1767(1) 0.0460(2) 0.2119(3) 0.0378(7)
 C20 1.1776(1) 0.1535(2) 0.1304(3) 0.0481(8)
 C21 1.1176(2) 0.2153(3) 0.0795(3) 0.0565(9)
 C22 1.0562(1) 0.1694(3) 0.1130(3) 0.0571(9)
 C23 1.0539(2) 0.0636(3) 0.1943(4) 0.064(1)
 C24 1.1142(1) 0.0020(3) 0.2448(3) 0.0536(8)
 H1 1.4511 0.0725 0.3443 0.0642
 H2 1.5185 0.2334 0.2580 0.0794
 H3 1.4960 0.4405 0.3181 0.0827
 H4 1.4034 0.4880 0.4561 0.0762
 H5 1.3358 0.3282 0.5421 0.0614
 H6 1.1747 -0.2384 0.5101 0.0543
 H7 1.1272 -0.2040 0.7414 0.0656
 H8 1.1571 -0.0244 0.8874 0.0663
 H9 1.2233 0.1870 0.1075 0.0628
 H10 1.1184 0.2935 0.0187 0.0738
 H11 1.0079 0.0301 0.2176 0.0821
 H12 1.1129 -0.0763 0.3061 0.0693
 H13 1.3669 -0.0757 0.6191 0.0515
 H14 1.4209 -0.0416 0.4975 0.0515
 H15 1.3177 -0.3059 0.3352 0.0639
 H16 1.3971 -0.2691 0.4136 0.0639
 H17 1.3351 -0.2813 0.5219 0.0639
 H18 1.2324 0.1237 0.8014 0.0622