A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate
Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang; Acta Crystallographica Section C 65 (2009) o217–o221; doi:10.1107/S0108270109012530

data_2017117
_publ_section_title
;
 A two-dimensional network in the molecular salt 2-methylimidazolium
 hydrogen glutarate, and three-dimensional networks in the salts
 2-methylimidazolium hydrogen succinate and 2-methylimidazolium
 hydrogen adipate monohydrate
;
_journal_coeditor_code           SK3296
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o217
_journal_page_last               o221
_journal_paper_doi               10.1107/S0108270109012530
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'C4 H7 N2 + , C6 H9 O4 -, H2 O'
_chemical_formula_sum            'C10 H18 N2 O5'
_chemical_formula_weight         246.26
_chemical_name_systematic
;
2-methylimidazolium hydrogen adipate monohydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                96.8800(10)
_cell_angle_beta                 92.7940(10)
_cell_angle_gamma                106.6110(10)
_cell_formula_units_Z            2
_cell_length_a                   4.9383(4)
_cell_length_b                   8.0682(6)
_cell_length_c                   16.6840(13)
_cell_measurement_reflns_used    2128
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.47
_cell_volume                     630.00(8)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.3\% wide \w exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine focus sealed Siemens Mo tube'
_diffrn_radiation_type           'Mo k\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6477
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  0.9897
_exptl_absorpt_correction_T_min  0.9695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             264
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.245
_refine_diff_density_min         -0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2421
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0972P)^2^+0.0502P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1466
_refine_ls_wR_factor_ref         0.1592
_reflns_number_gt                1905
_reflns_number_total             2421
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3296.cif
_cod_data_source_block           III
_cod_database_code               2017117
_cod_database_fobs_code          2017117