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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/2/00/11/2001119.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_2001119
loop_
_publ_author_name
'Ishida, T.'
'Negi, A.'
'In, Y.'
'Inoue, M.'
_publ_section_title
;
 Structure of N-(indol-3-ylethyl)-4-hydroxyphenylacetamide
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              193
_journal_page_last               194
_journal_paper_doi               10.1107/S0108270191009599
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H18 N2 O2'
_chemical_formula_weight         294.36
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.07(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.403(4)
_cell_length_b                   5.405(3)
_cell_length_c                   33.005(16)
_cell_volume                     1498.8(13)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.652
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_meas      1.301(3)
_exptl_crystal_F_000             624
_cod_data_source_file            as0500.cif
_cod_data_source_block           as0500a
_cod_original_cell_volume        1499.0(13)
_cod_database_code               2001119
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N(1) .3564(2) -.2705(4) .36652(5)
C(2) .3229(3) -.1717(5) .32873(7)
C(3) .2255(2) .0266(4) .33221(6)
C(4) .1083(2) .2282(5) .39725(6)
C(5) .1035(3) .1943(6) .43899(7)
C(6) .1819(3) .0019(6) .45814(7)
C(7) .2764(3) -.1690(5) .43691(7)
C(8) .2797(2) -.1310(4) .39486(6)
C(9) .1987(2) .0601(4) .37486(6)
C(10) .1514(2) .1814(4) .29894(6)
C(11) .1748(2) .0692(5) .25754(6)
N(12) .0860(2) .2045(4) .22563(5)
C(13) .1391(2) .4015(4) .20719(6)
O(13) .2738(2) .4865(4) .21343(5)
C(14) .0217(2) .5228(5) .17724(6)
C(15) .0873(2) .5114(4) .13406(6)
C(16) .0392(2) .3189(5) .10847(6)
C(16') .1860(2) .6910(4) .11962(6)
C(17) .0966(3) .3031(5) .06954(6)
C(17') .2470(3) .6760(5) .08029(6)
C(18) .1980(2) .4851(4) .05578(6)
O(18) .2588(2) .4800(4) .0163(4)
H(1) .431(3) -.429(6) .3727(8)
H(2) .370(3) -.244(6) .3008(8)
H(4) .046(3) .378(6) .3825(7)
H(5) .034(3) .324(6) .4570(8)
H(6) .169(3) -.022(6) .4904(8)
H(7) .342(3) -.314(6) .4517(8)
H(10a) .230(3) .334(6) .2976(8)
H(10b) .028(3) .148(6) .3032(8)
H(11a) .105(3) -.096(6) .2603(7)
H(11b) .294(3) .124(6) .2517(7)
H(12) -.032(3) .132(6) .2212(8)
H(14a) .040(3) .716(6) .1846(8)
H(14b) -.072(3) .389(6) .1759(8)
H(16) -.043(3) .182(6) .1194(7)
H(16') .218(3) .846(6) .1389(8)
H(17) .057(3) .156(6) .0495(8)
H(17') .332(3) .807(6) .0699(7)
H(18) .253(3) .648(6) .0054(8)
H(18') .253(3) .312(6) .0054(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(2) 1.381(3)
N(1) C(8) 1.372(3)
C(2) C(3) 1.355(3)
C(3) C(9) 1.441(3)
C(3) C(10) 1.506(3)
C(4) C(5) 1.391(3)
C(4) C(9) 1.404(3)
C(5) C(6) 1.378(4)
C(6) C(7) 1.412(4)
C(7) C(8) 1.404(3)
C(8) C(9) 1.396(3)
C(10) C(11) 1.511(3)
C(11) N(12) 1.473(3)
N(12) C(13) 1.309(3)
C(13) O(13) 1.236(3)
C(13) C(14) 1.531(3)
C(14) C(15) 1.539(3)
C(15) C(16) 1.395(3)
C(15) C(16') 1.368(3)
C(16) C(17) 1.384(3)
C(16') C(17') 1.407(3)
C(17) C(18) 1.384(3)
C(17') C(18) 1.370(3)
C(18) O(18) 1.405(3)
