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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/2/00/10/2001070.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_2001070
loop_
_publ_author_name
'Grossie, D. A.'
'Turnbull, K.'
_publ_section_title
;
 5-Hydroxy-5-methylsydno[3,4-a]indole
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              377
_journal_page_last               379
_journal_paper_doi               10.1107/S0108270191009125
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H8 N2 O3'
_chemical_formula_weight         204.18
_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                 115.10(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.702(4)
_cell_length_b                   12.063(2)
_cell_length_c                   9.711(4)
_cell_volume                     923.1(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.104
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_F_000             424
_cod_data_source_file            st0533.cif
_cod_data_source_block           st0533a
_cod_database_code               2001070
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C(1) -.2091(2) .52270(10) .0432(2) .0393(6)
C(2) -.2940(2) .4247(2) .0415(2) .0442(6)
C(3) -.2163(2) .3408(2) .1457(2) .0440(7)
C(4) -.0497(2) .35090(10) .2558(2) .0399(6)
C(4a) .0371(2) .44790(10) .2597(2) .0318(5)
C(5) .2187(2) .48190(10) .3676(2) .0299(5)
C(5a) .2243(2) .59490(10) .3012(2) .0310(5)
C(6) .3253(2) .68870(10) .3179(2) .0333(5)
O(6) .4684(2) .71900(10) .4010(2) .0451(5)
O(7) .2185(2) .76010(10) .20060(10) .0398(4)
N(8) .0599(2) .71340(10) .1182(2) .0389(5)
N(8a) .0749(2) .61810(10) .1843(2) .0309(4)
C(8b) -.0448(2) .52990(10) .1541(2) .0317(5)
O(9) .3381(2) .40960(10) .35050(10) .0401(4)
C(10) .2430(2) .4900(2) .5320(2) .0413(6)
H(1) -.2536 .5833 -.0324 .035
H(2) -.4097 .4184 -.0340 .035
H(3) -.2839 .2748 .1367 .035
H(4) -.0012 .2911 .3312 .035
H(10a) .2216 .4188 .5695 .035
H(10b) .1678 .5349 .5436 .035
H(10c) .3567 .5105 .5970 .035
H(9) .3944 .3754 .4452 .035
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C(1) C(2) 1.391(3)
C(1) C(8b) 1.381(2)
C(1) H(1) .990(2)
C(2) C(3) 1.387(3)
C(2) H(2) .965(2)
C(3) C(4) 1.395(2)
C(3) H(3) .972(3)
C(4) C(4a) 1.385(2)
C(4) H(4) .985(2)
C(4a) C(5) 1.536(2)
C(5) C(5a) 1.517(2)
C(5) O(9) 1.419(2)
C(5) C(10) 1.522(3)
C(5a) C(6) 1.399(2)
C(5a) N(8a) 1.344(2)
C(6) O(6) 1.219(2)
C(6) O(7) 1.416(2)
O(7) N(8) 1.388(2)
N(8) N(8a) 1.296(2)
N(8a) C(8b) 1.430(2)
O(9) H(9) .935(2)
C(10) H(10a) .980(3)
C(10) H(10b) .893(3)
C(10) H(10c) .954(2)
