#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/50/2005007.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_2005007
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1473
_journal_page_last    	1479
_publ_section_title
;
One Bicyclic \b-Lactam  and Two Bicyclic \g-Lactam Compounds
;
_chemical_formula_moiety    	'C11 H16 Cl N O3'
_chemical_formula_sum    	'C11 H16 Cl N O3'
_chemical_formula_weight    	245.71
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/a'
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2+x,1/2-y,+z
_cell_length_a    	9.732(2)
_cell_length_b    	13.903(3)
_cell_length_c    	9.116(2)
_cell_angle_alpha    	90
_cell_angle_beta    	99.99(1)
_cell_angle_gamma    	90
_cell_volume    	1214.7(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.343
_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 .3242(3) .6502(3) -.0053(4) .044(2)
C2 .4149(4) .6742(3) .1334(5) .043(2)
C3 .4587(4) .5828(3) .2221(4) .050(3)
C4 .3390(5) .5119(3) .2312(5) .054(3)
C5 .2532(5) .4934(3) .0770(5) .056(3)
C6 .2058(4) .5840(3) -.0078(5) .050(3)
C7 .1563(4) .5693(4) -.1758(5) .062(3)
C8 .2017(5) .6617(4) -.2459(5) .065(3)
C9 .3201(5) .7006(4) -.1328(5) .050(3)
C10 .3499(5) .7513(3) .2181(5) .044(2)
C11 .3744(5) .8342(4) .4486(5) .081(4)
C12 .3968(5) .4190(3) .3105(5) .077(4)
O1 .4011(3) .7648(3) -.1514(3) .063(2)
O2 .2483(3) .7978(2) .1685(3) .059(2)
O3 .4255(3) .7649(2) .3531(3) .058(2)
Cl .2226(2) .5671(1) .3462(2) .0736(9)
H2 .50181 .70263 .10636 .10000
H31 .53025 .54894 .17433 .10000
H32 .50125 .60190 .32590 .10000
H51 .31117 .45522 .01751 .10000
H52 .16864 .45513 .08926 .10000
H6 .13057 .61615 .03698 .10000
H71 .20200 .51161 -.21195 .10000
H72 .05245 .56120 -.19905 .10000
H81 .23358 .64755 -.34219 .10000
H82 .12287 .70921 -.26424 .10000
H111 .36754 .89762 .39540 .10000
H112 .27914 .81316 .46184 .10000
H113 .43085 .84453 .54964 .10000
H121 .46463 .38870 .25352 .10000
H122 .44556 .43494 .41343 .10000
H123 .31918 .37295 .31635 .10000
_cod_database_code 2005007