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#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/11/2001120.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_2001120
loop_
_publ_author_name
'Kwiatkowski, W.'
'Karolak-Wojciechowska, J.'
_publ_section_title
;
 Structure of m-nitrophenylsuccinimide
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              204
_journal_page_last               206
_journal_paper_doi               10.1107/S0108270191008843
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H8 N2 O4'
_chemical_formula_weight         220.18
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.02(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.381(3)
_cell_length_b                   7.0420(10)
_cell_length_c                   18.157(4)
_cell_volume                     1927.7(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.98
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_F_000             912
_cod_data_source_file            cr0340.cif
_cod_data_source_block           cr0340a
_cod_original_cell_volume        1927.8(8)
_cod_database_code               2001120
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N11 .10740(10) -.2254(2) .23300(10) .0410(10)
C41 .02770(10) -.1440(2) .18660(10) .0330(10)
C11 -.03790(10) -.3055(2) .14910(10) .0310(10)
C21 .02320(10) -.4774(2) .15970(10) .0370(10)
C31 .10930(10) -.4189(3) .22510(10) .0400(10)
O21 .01280(10) .0241(2) .17990(10) .0470(10)
O11 .17090(10) -.5196(2) .26410(10) .0630(10)
C111 -.10230(10) -.2645(2) .06530(10) .0290(10)
C121 -.19260(10) -.2795(2) .04630(10) .0320(10)
C131 -.25050(10) -.2464(2) -.03180(10) .0360(10)
C141 -.22200(10) -.1972(3) -.09130(10) .0440(10)
C151 -.13250(10) -.1821(3) -.07210(10) .0460(10)
C161 -.07270(10) -.2156(3) .00510(10) .0380(10)
N21 -.34630(10) -.2651(2) -.05220(10) .0480(10)
O31 -.37100(10) -.3051(3) .00120(10) .0650(10)
O41 -.39650(10) -.2429(3) -.12150(10) .0770(10)
N12 .33120(10) .2785(2) .30140(10) .0400(10)
C42 .41150(10) .3514(2) .30700(10) .0370(10)
C12 .47780(10) .1879(3) .32750(10) .0380(10)
C22 .42550(10) .0175(3) .33980(10) .0500(10)
C32 .33240(10) .0875(3) .31620(10) .0400(10)
O22 .42410(10) .5155(2) .29660(10) .0540(10)
O12 .26770(10) -.0040(2) .31090(10) .0600(10)
C112 .56280(10) .2333(2) .39840(10) .0340(10)
C122 .64420(10) .2140(2) .39230(10) .0350(10)
C132 .72060(10) .2471(2) .46010(10) .0370(10)
C142 .71960(10) .3005(3) .53280(10) .0430(10)
C152 .63800(10) .3218(3) .53730(10) .0460(10)
C162 .56040(10) .2889(3) .47090(10) .0410(10)
N22 .80680(10) .2223(2) .45370(10) .0500(10)
O32 .80800(10) .1944(3) .38860(10) .0810(10)
O42 .87380(10) .2311(3) .51480(10) .0790(10)
H11 -.072 -.317 .186 ?
H21A .036 -.492 .111 ?
H21B .002 -.601 .172 ?
H121 -.214 -.316 .088 ?
H141 -.261 -.179 -.142 ?
H151 -.109 -.152 -.113 ?
H161 -.012 -.201 .018 ?
H1 .153(2) -.155(3) .2600(10) ?
H12 .489 .174 .279 ?
H22A .442 -.013 .398 ?
H22B .425 -.093 .308 ?
H122 .651 .178 .344 ?
H142 .775 .320 .577 ?
H152 .636 .358 .589 ?
H162 .502 .301 .475 ?
H2 .279(2) .349(3) .2870(10) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N11 C41 1.372(2)
N11 C31 1.372(3)
C41 C11 1.530(2)
C41 O21 1.205(2)
C11 C21 1.534(2)
C11 C111 1.502(2)
C21 C31 1.503(2)
C31 O11 1.210(2)
C111 C121 1.385(2)
C111 C161 1.401(3)
C121 C131 1.383(2)
C131 C141 1.378(3)
C131 N21 1.471(2)
C141 C151 1.372(2)
C151 C161 1.381(2)
N21 O31 1.221(3)
N21 O41 1.214(2)
N12 C42 1.378(2)
N12 C32 1.370(3)
C42 C12 1.526(2)
C42 O22 1.202(2)
C12 C22 1.541(3)
C12 C112 1.515(2)
C22 C32 1.497(2)
C32 O12 1.212(2)
C112 C122 1.387(3)
C112 C162 1.389(3)
C122 C132 1.390(2)
C132 C142 1.379(3)
C132 N22 1.472(3)
C142 C152 1.379(3)
C152 C162 1.387(2)
N22 O32 1.206(3)
N22 O42 1.219(2)
