#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005328.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_2005328
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first  2343
_journal_page_last  2345
_publ_section_title
;
O-Acetyl-N-(o-hydroxybenzyl)-N-isopropylhydroxylamine
;
_chemical_formula_sum  'C12 H17 N O3'
_chemical_formula_weight  223.27
_symmetry_cell_setting  triclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
_symmetry_space_group_name_H-M  'P -1'
_cell_length_a  6.930(4)
_cell_length_b  9.597(6)
_cell_length_c  10.169(7)
_cell_angle_alpha  80.10(3)
_cell_angle_beta  89.94(6)
_cell_angle_gamma  73.22(2)
_cell_volume  637.0
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.16
_cell_measurement_temperature  296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_b_iso_or_equiv
 O1 .0771(5) .7336(4) .6421(4) 5.6(1)
 O2 -.1659(5) .6273(4) .6164(4) 8.1(1)
 O3 .1017(5) .3274(4) .7436(4) 6.5(1)
 N4 .1837(6) .5943(4) .7247(4) 4.8(1)
 C5 .3430(7) .5178(5) .6458(5) 4.8(1)
 C6 .4302(7) .3612(5) .7135(5) 4.4(1)
 C7 .6375(7) .2981(6) .7311(6) 5.3(1)
 C8 .7174(8) .1511(7) .7901(6) 6.6(2)
 C9 .5916(8) .0667(6) .8344(6) 6.2(2)
 C10 .3881(8) .1302(6) .8177(6) 6.1(2)
 C11 .3051(6) .2728(5) .7589(5) 4.2(1)
 C12 .2545(8) .6280(6) .8500(6) 5.8(2)
 C13 .070(1) .6945(8) .9249(7) 9.2(2)
 C14 .3934(9) .7248(7) .8298(7) 8.8(2)
 C15 -.1060(8) .7334(6) .5986(6) 6.2(2)
 C16 -.216(1) .8836(8) .5188(7) 9.0(2)
 H3 .066 .427 .700 ?
 H7 .724 .356 .700 ?
 H8 .860 .108 .801 ?
 H9 .647 -.032 .873 ?
 H10 .302 .072 .851 ?
 H12 .332 .541 .901 ?
 H51 .443 .567 .635 ?
 H52 .285 .519 .560 ?
 H131 .110 .717 1.004 ?
 H132 -.009 .629 .939 ?
 H133 -.011 .786 .869 ?
 H141 .509 .675 .786 ?
 H142 .437 .736 .915 ?
 H143 .329 .818 .778 ?
 H161 -.137 .948 .516 ?
 H162 -.341 .921 .556 ?
 H163 -.241 .871 .428 ?
_cod_database_code 2005328