2-Amino-6-chloropyridine–glutaric acid (1/1)
Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G.; IUCrData 4 (2019) x190781–; doi:10.1107/S2414314619007818

data_1551445
_publ_section_title
;
 2-Amino-6-chloropyridine--glutaric acid (1/1)
;
_journal_coeditor_code           IS4033
_journal_issue                   6
_journal_name_full               IUCrData
_journal_page_first              x190781
_journal_paper_doi               10.1107/S2414314619007818
_journal_volume                  4
_journal_year                    2019
_chemical_formula_iupac          'C5 H5 Cl N2, C5 H8 O4'
_chemical_formula_moiety         'C5 H5 Cl N2, C5 H8 O4'
_chemical_formula_sum            'C10 H13 Cl N2 O4'
_chemical_formula_weight         260.67
_chemical_name_common
;
2-Amino-6-chloropyridine--glutaric acid (1/1)
;
_chemical_name_systematic
;
6-Chloropyridin-2-amine--pentanedioic acid (1/1)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 112.960(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7115(16)
_cell_length_b                   4.9598(6)
_cell_length_c                   17.3105(19)
_cell_measurement_reflns_used    3966
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.82
_cell_measurement_theta_min      3.10
_cell_volume                     1163.0(2)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXS2016 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14500
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.818
_diffrn_reflns_theta_min         3.095
_exptl_absorpt_coefficient_mu    0.334
_exptl_absorpt_correction_T_max  0.9874
_exptl_absorpt_correction_T_min  0.7743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_description       plate
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     170
_refine_ls_number_reflns         3966
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0538P)^2^+0.4259P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0935
_reflns_number_gt                3264
_reflns_number_total             3966
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            is4033sup1.cif
_cod_data_source_block           I
_cod_database_code               1551445
_cod_database_fobs_code          1551445
_shelx_estimated_absorpt_t_min   0.776
_shelx_estimated_absorpt_t_max   0.987
_shelx_hkl_checksum              39842
_shelx_res_checksum              67388