#------------------------------------------------------------------------------
#$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/01/2000177.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_2000177
loop_
_publ_author_name
'Alzuet, G.'
'Ferrer, S.'
'Borr\'as, J.'
'Solans, X.'
_publ_section_title
;
 Structure of methazolamide: an inhibitor of carbonic anhydrase
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2377
_journal_page_last               2379
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C5 H8 N4 O3 S2'
_chemical_formula_weight         236.27
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.64(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.586(2)
_cell_length_b                   10.508(2)
_cell_length_c                   10.676(2)
_cell_volume                     958.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.531
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_F_000             488
_[local]_cod_data_source_file    ab0197.cif
_[local]_cod_data_source_block   ab0197a
_cod_original_cell_volume        958.5(6)
_cod_database_code               2000177
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S(1) .98850(10) -.05980(10) .23360(10)
C(2) .7878(3) -.0434(2) .2086(2)
N(3) .7205(2) -.0838(2) .1035(2)
N(4) .8319(2) -.1347(2) .0342(2)
C(5) .9806(3) -.1350(2) .0878(2)
S(6) .67450(10) .02780(10) .32040(10)
O(7) .7839(2) .0482(2) .4272(2)
N(8) .5494(3) -.0734(2) .3530(2)
O(9) .5925(2) .1317(2) .2590(2)
C(10) .7777(3) -.1928(3) -.0868(2)
N(11) 1.0937(2) -.1890(2) .0311(2)
C(12) 1.2404(3) -.1764(2) .0949(2)
O(13) 1.2670(2) -.1138(2) .1922(2)
C(14) 1.3669(3) -.2464(3) .0371(3)
HN(8) .5237(3) -.1591(2) .2989(2)
HN(8)' .5117(3) -.0850(2) .4459(2)
H(14) 1.3176(3) -.2945(3) -.0471(3)
H(14)' 1.4193(3) -.3155(3) .1033(3)
H(14)" 1.4550(3) -.1798(3) .0132(3)
H(10) .849(9) -.193(6) -.130(7)
H(10)' .694(9) -.264(7) -.077(7)
H(10)" .735(7) -.088(7) -.141(5)