#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005006.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_2005006
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1473
_journal_page_last    	1479
_publ_section_title    	
;
One Bicyclic \b-Lactam  and Two Bicyclic \g-Lactam Compounds
;
_chemical_formula_moiety    	'C10 H14 Cl N O3'
_chemical_formula_sum    	'C10 H14 Cl N O3'
_chemical_formula_weight    	231.68
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,1/2-z
-x,-y,-z
+x,1/2-y,1/2+z
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	10.456(2)
_cell_length_b    	12.237(2)
_cell_length_c    	9.531(1)
_cell_angle_alpha    	90
_cell_angle_beta    	111.00(1)
_cell_angle_gamma    	90
_cell_volume    	1138.5(3)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.352
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N1 .5560(3) .6577(2) .2094(3) .043(2)
C2 .6935(4) .6695(3) .2117(4) .042(2)
C3 .7666(3) .5575(3) .2473(4) .044(2)
C4 .7364(4) .4912(3) .3675(4) .044(2)
C5 .5836(4) .4790(3) .3335(4) .046(2)
C6 .5135(4) .5894(3) .3129(4) .045(2)
C7 .3657(4) .5990(3) .1981(5) .054(2)
C8 .4301(4) .6616(3) .0998(5) .049(2)
C9 .7690(4) .7615(3) .3178(4) .043(2)
C10 .9825(5) .8495(3) .4278(5) .074(3)
C11 .8085(4) .3811(3) .3909(5) .062(2)
O1 .3897(3) .6994(3) -.0251(3) .067(2)
O2 .7165(3) .8257(2) .3750(3) .059(2)
O3 .9010(3) .7633(2) .3322(3) .054(1)
Cl .8095(1) .56524(9) .5476(1) .0605(6)
H2 .68716 .69067 .10802 .10000
H31 .73735 .51344 .15265 .10000
H32 .86770 .57048 .28244 .10000
H51 .54231 .43539 .23921 .10000
H52 .56927 .43981 .41880 .10000
H6 .52624 .62674 .41034 .10000
H71 .32127 .52812 .15516 .10000
H72 .30186 .64287 .23270 .10000
H101 1.04896 .79486 .49188 .10000
H102 1.01316 .87402 .34484 .10000
H103 .93853 .90322 .47562 .10000
H111 .77586 .33953 .29410 .10000
H112 .90956 .39317 .42320 .10000
H113 .78865 .33766 .46959 .10000