Eprosartan mesylate, an angiotensin II receptor antagonist
Qian, Jing-Jing; Hu, Xiu-Rong; Gu, Jianming; Wu, Su-Xiang; Acta Crystallographica Section E 67 (2011) o770–o771; doi:10.1107/S1600536811006659

data_2229883
_publ_section_title
;
 Eprosartan mesylate, an angiotensin II receptor antagonist
;
_journal_coeditor_code           YA2135
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o770
_journal_page_last               o771
_journal_paper_doi               10.1107/S1600536811006659
_journal_volume                  67
_journal_year                    2011
_chemical_formula_moiety         'C23 H25 N2 O4 S +, C H3 O3 S -'
_chemical_formula_sum            'C24 H28 N2 O7 S2'
_chemical_formula_weight         520.60
_chemical_name_common            'eprosartan mesylate'
_chemical_name_systematic
;
2-butyl-1-(4-carboxybenzyl)-5-[(<i>E</i>)-2-carboxy-3-(thiophen-2-yl)prop-
1-enyl]-1<i>H</i>-imidazol-3-ium methanesulfonate
;
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_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     1327.97(13)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_reduction        'CrystalStructure (Rigaku,2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS-RAPID/ZJUG'
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_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10590
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
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_refine_ls_number_reflns         4689
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_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.111
_refine_ls_R_factor_gt           0.083
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0839P)^2^+3.6024P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
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_cod_original_cell_volume        1327.97(12)
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