#------------------------------------------------------------------------------
#$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005685.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005685
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2875
_journal_page_last 	2878
_publ_section_title
;
Acetoxylmethyl 4-Chloro-N-furfuryl-5-sulfamoylanthranilate, an
Absorption Furosemide Prodrug
;
_chemical_formula_sum 	'C15 H15 Cl N2 O7 S'
_chemical_formula_weight 	402.80
_symmetry_cell_setting 	triclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
_symmetry_space_group_name_H-M 	'P -1'
_cell_length_a 	8.502(2)
_cell_length_b 	9.653(3)
_cell_length_c 	11.767(2)
_cell_angle_alpha 	72.01
_cell_angle_beta 	74.57
_cell_angle_gamma 	72.74
_cell_volume 	860.8(4)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	1.554
_cell_measurement_temperature 	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C1 1 0.5006(6) 0.4033(5) -0.1054(4) 0.0335(12)
 C2 1 0.6547(6) 0.2968(5) -0.0865(4) 0.0380(12)
 C3 1 0.6462(7) 0.1662(6) 0.0104(4) 0.0419(14)
 H4 1 0.7469(62) 0.0938(52) 0.0207(42) 0.050
 C4 1 0.4962(6) 0.1429(5) 0.0816(4) 0.0398(13)
 C5 1 0.3443(6) 0.2507(5) 0.0662(4) 0.0371(12)
 C6 1 0.3500(6) 0.3784(5) -0.0275(4) 0.0376(13)
 H5 1 0.2494(58) 0.4551(49) -0.0454(39) 0.045
 C7 1 0.4984(6) 0.5405(5) -0.2055(4) 0.0344(12)
 O1 1 0.6199(4) 0.5714(4) -0.2821(3) 0.0530(10)
 O2 1 0.3457(4) 0.6354(3) -0.2026(3) 0.0434(9)
 C8 1 0.3254(7) 0.7637(5) -0.3003(4) 0.0459(15)
 H6 1 0.4232(34) 0.7997(15) -0.3285(10) 0.055
 H7 1 0.2362(31) 0.8397(28) -0.2763(10) 0.055
 O3 1 0.2909(5) 0.7158(4) -0.3927(3) 0.0496(10)
 C9 1 0.2515(7) 0.8236(6) -0.4914(5) 0.0500(15)
 O4 1 0.2549(6) 0.9510(4) -0.5056(3) 0.0751(14)
 C10 1 0.2022(11) 0.7653(9) -0.5758(7) 0.081(2)
 H8 1 0.1429(83) 0.6847(70) -0.5355(59) 0.097
 H9 1 0.1723(84) 0.8295(73) -0.6354(60) 0.097
 H10 1 0.3071(89) 0.7087(74) -0.6159(62) 0.097
 N1 1 0.8048(5) 0.3166(5) -0.1581(4) 0.0467(12)
 H1 1 0.7998(63) 0.4130(53) -0.2162(44) 0.056
 C11 1 0.9666(6) 0.2225(6) -0.1361(5) 0.0509(15)
 H11 1 0.9658(6) 0.1183(6) -0.1225(5) 0.061
 H12 1 0.9893(6) 0.2346(6) -0.0637(5) 0.061
 C12 1 1.1006(6) 0.2629(6) -0.2421(5) 0.0431(13)
 C13 1 1.1766(8) 0.3764(7) -0.2864(6) 0.058(2)
 H13 1 1.1574(72) 0.4453(61) -0.2399(50) 0.070
 C14 1 1.2891(8) 0.3522(7) -0.3950(6) 0.061(2)
 H14 1 1.3494(73) 0.4121(62) -0.4465(52) 0.073
 C15 1 1.2745(8) 0.2281(8) -0.4101(5) 0.061(2)
 H15 1 1.3108(72) 0.1873(61) -0.4761(52) 0.074
 O5 1 1.1573(5) 0.1685(4) -0.3185(4) 0.0574(10)
 S 1 0.1468(2) 0.2306(2) 0.15933(12) 0.0447(4)
 O6 1 0.0319(4) 0.3679(4) 0.1196(3) 0.0604(11)
 O7 1 0.1150(5) 0.0940(4) 0.1583(3) 0.0594(11)
 N2 1 0.1540(6) 0.2188(5) 0.2983(4) 0.0509(12)
 H2 1 0.2110(64) 0.1125(58) 0.3322(45) 0.061
 H3 1 0.1662(65) 0.3088(59) 0.3215(46) 0.061
 Cl 1 0.5000(2) -0.02080(15) 0.19650(13) 0.0593(5)