Losartan potassium 3.5-hydrate, a new crystalline form
Xiu-Rong Hu; Yun-Wu Wang; Jian-Ming Gu; Acta Crystallographica Section E 61 (2005) m1686–m1688; doi:10.1107/S1600536805024001

data_2206678
_publ_section_title
;
 Losartan potassium 3.5-hydrate, a new crystalline form
;
_journal_coeditor_code           DN6239
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1686
_journal_page_last               m1688
_journal_paper_doi               10.1107/S1600536805024001
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[K2 (C22 H22 Cl1 N6 O1)2 (H2 O1)5], 2H2 O'
_chemical_formula_sum            'C22 H29 Cl K N6 O4.5'
_chemical_formula_weight         524.06
_chemical_name_systematic
;
di-\m-aqua-1:2\k^4^O:O-triaqua-1\k^3^O-dilosartanido-1\kN;2\k^2^N,N'-
dipotassium dihydrate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.1389(3)
_cell_length_b                   25.6885(5)
_cell_length_c                   31.1822(7)
_cell_measurement_reflns_used    69404
_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     10524.6(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Betteridge <i>et al.</i>, 2003)'
_computing_structure_solution    'SHELXS97 (Altomare <i>et al.</i>, 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9950
_diffrn_measured_fraction_theta_max 0.9927
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            74477
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.344
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4400.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.67
_refine_ls_extinction_coef       39E1(10)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     623
_refine_ls_number_reflns         6573
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0012Fo^2^ + 3\s(Fo^2^) + 0.5]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                6573
_reflns_number_total             11990
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            dn6239.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C44 H58 Cl2 K2 N12 O9 '
_cod_database_code               2206678
_cod_database_fobs_code          2206678