#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000260.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000260
loop_
_publ_author_name
'Shoja, M.'
'Saba, S.'
_publ_section_title
;
 3-Isopropyl-2-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,3-oxazine
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1994
_journal_page_last               1996
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C13 H18 N2 O3'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.64(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.196(2)
_cell_length_b                   16.490(3)
_cell_length_c                   7.7330(10)
_cell_volume                     1352.7(5)
_diffrn_radiation_type           cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    .59
_exptl_crystal_density_diffrn    1.23
_exptl_crystal_F_000             536
_[local]_cod_data_source_file    cr0290.cif
_[local]_cod_data_source_block   cr0290a
_[local]_cod_cif_authors_sg_H-M  P21/c
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) .7958(2) .16970(10) .8977(2)
C(1') .9719(2) .1595(2) 1.1600(3)
N(3) .7834(2) .0730(2) 1.1167(3)
C(2) .8295(2) .1534(2) 1.0871(3)
C(6) .6618(3) .1731(2) .8135(4)
C(2') 1.0295(3) .2205(2) 1.2791(4)
C(6') 1.0452(2) .1045(2) 1.1014(4)
C(3') 1.1595(3) .2262(2) 1.3429(4)
C(4') 1.2299(2) .1698(2) 1.2875(4)
C(5') 1.1746(2) .1090(2) 1.1665(4)
C(4) .6452(3) .0723(2) 1.0394(4)
N(1) 1.3675(2) .1756(2) 1.3574(4)
C(5) .6041(3) .0946(2) .8395(4)
C(7) .8324(3) .0452(2) 1.3087(4)
C(8) .8102(3) -.0452(2) 1.3188(5)
O(2) 1.4301(2) .1251(2) 1.3126(4)
O(3) 1.4144(3) .2311(2) 1.4610(4)
C(9) .7834(3) .0911(3) 1.4436(4)
HC5' 1.226 .071 1.125
HC6' 1.005 .061 1.016
HC2 .794 .191 1.154
H1C6 .641 .187 .686
H2C6 .626 .216 .868
H1C5 .632 .052 .772
H2C5 .513 .096 .788
H1C4 .610 .111 1.105
H2C4 .614 .019 1.059
HC7 .923 .055 1.351
H1C8 .842 -.065 1.442
H2C8 .721 -.057 1.275
H3C8 .850 -.076 1.247
H1C9 .818 .071 1.564
H2C9 .801 .147 1.443
H3C9 .692 .085 1.407
HC2' .979 .260 1.317
HC3' 1.200 .270 1.427
_cod_database_code 2000260