##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_journal_date_recd_electronic     2023-08-07
_journal_date_accepted     2023-08-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2023
_journal_volume     79
_journal_issue      9
_journal_page_first     856
_journal_page_last     861
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989023007466
_journal_coeditor_code     WM5692
_publ_contact_author_name     'Ashurov M. Jamshid'
_publ_contact_author_address
;
Institute of Bioorganic Chemistry
Academy of Sciences of Uzbekistan
M. Ulugbek Str. 83
Tashkent 700125
Uzbekistan
;
_publ_contact_author_email     ashurovjamshid1@gmail.com
_publ_contact_author_fax     '+998712627063'
_publ_contact_author_phone     '+998935514007'
_publ_section_title
;
Crystal structure and Hirshfeld surface analysis of 8-azaniumylquinolinium
tetrachloridozincate(II)
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Umirova, Gulnora A.' .
;
Termez State University
Barkamol avlod street 43
Termez city
Uzbekistan
;
    'Turaev, Khayit Kh.' .
;
Termez State University
Barkamol avlod street 43
Termez city
Uzbekistan
;
    'Alimnazarov, Bekmurod Kh.' .
;
Termez State University
Barkamol avlod street 43
Termez city
Uzbekistan
;
    'Kasimov, Sherzod A.' .
;
Termez State University
Barkamol avlod street 43
Termez city
Uzbekistan
;
    'Djalilov, Abdulakhat T.' .
;
Tashkent Scientific Research Institute of Chemical Technology
Township Shura-bazar
District of Zangiata
Tashkent 111116
Uzbekistan
;
    'Ibragimov, Bakhtiyar T.' .
;
Institute of Bioorganic Chemistry
Academy of Sciences of Uzbekistan
M. Ulugbek Str. 83
Tashkent 700125
Uzbekistan
;
    'Ashurov, Jamshid M.' .
;
Institute of Bioorganic Chemistry
Academy of Sciences of Uzbekistan
M. Ulugbek Str. 83
Tashkent 700125
Uzbekistan
;
_publ_section_synopsis
;
The organic--inorganic hybride salt (C₉H₁₀N₂)[ZnCl₄] consists of a
planar 8-azaniumylquinolinium dication and a tetrahedral
tetrachloridozincate(II) dianion, held together by N---H...Cl and C---H...Cl
hydrogen bonds, and π---π interactions.
;
_chemical_name_systematic
;
8-Azaniumylquinolinium tetrachloridozincate(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C9 H10 N2 2+, Zn Cl4 2-'
_chemical_formula_sum     'C9 H10 Cl4 N2 Zn'
_chemical_formula_iupac     '(C9 H10 N2) [Zn Cl4]'
_chemical_formula_weight     353.36
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/n'
_space_group_name_Hall     '-P 2yn'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     7.52646(6)
_cell_length_b     13.40703(12)
_cell_length_c     12.65801(11)
_cell_angle_alpha     90
_cell_angle_beta     92.8635(8)
_cell_angle_gamma     90
_cell_volume     1275.692(19)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     8253
_cell_measurement_theta_min     3.3170
_cell_measurement_theta_max     71.3480
_cell_measurement_temperature     566.15
_exptl_crystal_description     'block'
_exptl_crystal_colour     'pale yellow'
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.21
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.840
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     704
_exptl_absorpt_coefficient_mu     10.163
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2020)
;
_exptl_absorpt_correction_T_min     0.49111
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     566.15
_diffrn_source     'micro-focus sealed X-ray tube'
_diffrn_radiation_type     'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator     mirror
_diffrn_measurement_device_type
  'Rigaku XtaLAB Synergy single source diffractometer with a HyPix3000 detector'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean     10.0000
_diffrn_reflns_number     11239
_diffrn_reflns_av_R_equivalents     0.0365
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_theta_min     4.808
_diffrn_reflns_theta_max     71.436
_diffrn_reflns_theta_full     67.684
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     7
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_diffrn_radiation_probe     x-ray
_refine_special_details     ?
_reflns_number_total     2474
_reflns_number_gt     2341
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0243
_refine_ls_R_factor_gt     0.0231
_refine_ls_wR_factor_gt     0.0639
_refine_ls_wR_factor_ref     0.0647
_refine_ls_goodness_of_fit_ref     1.064
_refine_ls_restrained_S_all     1.064
_refine_ls_number_reflns     2474
_refine_ls_number_parameters     162
_refine_ls_number_restraints     4
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0362P)²+0.3283P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.315
_refine_diff_density_min     -0.278
_refine_ls_extinction_method
;
SHELXL (Sheldrick, 2015b)
;
_refine_ls_extinction_coef     0.00359(19)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0181 0.0091
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.3639 0.7018
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Zn' 'Zn' -1.5491 0.6778
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Zn Zn1 0.92145(3) 0.41694(2) 0.17409(2) 0.02862(11) Uani d 1 . .
    Cl Cl4 0.66523(6) 0.36967(4) 0.07893(3) 0.03361(13) Uani d 1 . .
    Cl Cl1 0.84550(6) 0.56627(3) 0.24448(4) 0.03547(13) Uani d 1 . .
    Cl Cl2 0.95542(7) 0.31035(3) 0.31521(4) 0.03674(14) Uani d 1 . .
    Cl Cl3 1.16765(6) 0.41294(4) 0.08236(4) 0.03691(14) Uani d 1 . .
    N N2 0.4715(2) 0.39322(11) 0.28755(12) 0.0269(3) Uani d 1 . .
    N N1 0.4398(2) 0.58098(12) 0.17865(12) 0.0296(4) Uani d 1 . .
    C C1 0.3676(2) 0.56492(13) 0.28262(13) 0.0245(4) Uani d 1 . .
    C C8 0.3848(2) 0.47086(13) 0.33164(13) 0.0228(3) Uani d 1 . .
    C C9 0.3120(2) 0.45601(14) 0.43180(14) 0.0275(4) Uani d 1 . .
    C C4 0.2233(2) 0.53608(16) 0.47875(15) 0.0340(4) Uani d 1 . .
    H H4 0.173175 0.526950 0.543724 0.041 Uiso calc 1 . .
    C C2 0.2837(2) 0.64101(14) 0.33141(16) 0.0320(4) Uani d 1 . .
    H H2A 0.274830 0.703201 0.299033 0.038 Uiso calc 1 . .
    C C7 0.4940(3) 0.30526(14) 0.33447(16) 0.0335(4) Uani d 1 . .
    H H7 0.556834 0.255296 0.301634 0.040 Uiso calc 1 . .
    C C5 0.3326(3) 0.36147(16) 0.47933(15) 0.0357(4) Uani d 1 . .
    H H5 0.282864 0.349307 0.543880 0.043 Uiso calc 1 . .
    C C6 0.4245(3) 0.28736(16) 0.43198(17) 0.0391(5) Uani d 1 . .
    H H6 0.440294 0.225711 0.464797 0.047 Uiso calc 1 . .
    C C3 0.2103(3) 0.62624(16) 0.43029(16) 0.0367(5) Uani d 1 . .
    H H3 0.152643 0.678533 0.462586 0.044 Uiso calc 1 . .
    H H1A 0.5529(15) 0.5639(17) 0.179(2) 0.042(7) Uiso d 1 . .
    H H1B 0.434(3) 0.6446(9) 0.160(2) 0.056(8) Uiso d 1 . .
    H H1C 0.381(3) 0.5492(16) 0.1272(14) 0.039(6) Uiso d 1 . .
    H H2 0.518(3) 0.3968(17) 0.2270(11) 0.040(6) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Zn1 Cl4 . 2.3108(5) ?
    Zn1 Cl1 . 2.2759(5) ?
    Zn1 Cl2 . 2.2919(5) ?
    Zn1 Cl3 . 2.2360(5) ?
    N2 C8 . 1.362(2) ?
    N2 C7 . 1.327(2) ?
    N2 H2 . 0.860(10) ?
    N1 C1 . 1.464(2) ?
    N1 H1A . 0.882(10) ?
    N1 H1B . 0.884(10) ?
    N1 H1C . 0.877(10) ?
    C1 C8 . 1.409(2) ?
    C1 C2 . 1.364(3) ?
    C8 C9 . 1.420(2) ?
    C9 C4 . 1.411(3) ?
    C9 C5 . 1.408(3) ?
    C4 H4 . 0.9300 ?
    C4 C3 . 1.357(3) ?
    C2 H2A . 0.9300 ?
    C2 C3 . 1.407(3) ?
    C7 H7 . 0.9300 ?
    C7 C6 . 1.385(3) ?
    C5 H5 . 0.9300 ?
    C5 C6 . 1.366(3) ?
    C6 H6 . 0.9300 ?
    C3 H3 . 0.9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cl1 Zn1 Cl4 . . 103.058(19) ?
    Cl1 Zn1 Cl2 . . 105.30(2) ?
    Cl2 Zn1 Cl4 . . 107.04(2) ?
    Cl3 Zn1 Cl4 . . 114.479(19) ?
    Cl3 Zn1 Cl1 . . 117.08(2) ?
    Cl3 Zn1 Cl2 . . 109.07(2) ?
    C8 N2 H2 . . 123.2(16) ?
    C7 N2 C8 . . 123.26(16) ?
    C7 N2 H2 . . 113.6(16) ?
    C1 N1 H1A . . 111.1(17) ?
    C1 N1 H1B . . 111.1(18) ?
    C1 N1 H1C . . 113.6(16) ?
    H1A N1 H1B . . 107(2) ?
    H1A N1 H1C . . 109(2) ?
    H1B N1 H1C . . 105(2) ?
    C8 C1 N1 . . 119.84(15) ?
    C2 C1 N1 . . 119.86(16) ?
    C2 C1 C8 . . 120.31(17) ?
    N2 C8 C1 . . 122.61(15) ?
    N2 C8 C9 . . 118.20(16) ?
    C1 C8 C9 . . 119.18(16) ?
    C4 C9 C8 . . 118.77(17) ?
    C5 C9 C8 . . 117.93(18) ?
    C5 C9 C4 . . 123.31(17) ?
    C9 C4 H4 . . 119.6 ?
    C3 C4 C9 . . 120.82(18) ?
    C3 C4 H4 . . 119.6 ?
    C1 C2 H2A . . 119.7 ?
    C1 C2 C3 . . 120.58(18) ?
    C3 C2 H2A . . 119.7 ?
    N2 C7 H7 . . 119.8 ?
    N2 C7 C6 . . 120.47(18) ?
    C6 C7 H7 . . 119.8 ?
    C9 C5 H5 . . 119.5 ?
    C6 C5 C9 . . 120.96(18) ?
    C6 C5 H5 . . 119.5 ?
    C7 C6 H6 . . 120.4 ?
    C5 C6 C7 . . 119.13(18) ?
    C5 C6 H6 . . 120.4 ?
    C4 C3 C2 . . 120.33(18) ?
    C4 C3 H3 . . 119.8 ?
    C2 C3 H3 . . 119.8 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N2 C8 C9 C4 . . . . 179.45(15) ?
    N2 C8 C9 C5 . . . . -0.5(2) ?
    N2 C7 C6 C5 . . . . 0.0(3) ?
    N1 C1 C8 N2 . . . . 1.9(2) ?
    N1 C1 C8 C9 . . . . -179.12(16) ?
    N1 C1 C2 C3 . . . . 178.65(17) ?
    C1 C8 C9 C4 . . . . 0.5(2) ?
    C1 C8 C9 C5 . . . . -179.45(16) ?
    C1 C2 C3 C4 . . . . 0.5(3) ?
    C8 N2 C7 C6 . . . . 1.6(3) ?
    C8 C1 C2 C3 . . . . -1.2(3) ?
    C8 C9 C4 C3 . . . . -1.2(3) ?
    C8 C9 C5 C6 . . . . 2.0(3) ?
    C9 C4 C3 C2 . . . . 0.7(3) ?
    C9 C5 C6 C7 . . . . -1.8(3) ?
    C4 C9 C5 C6 . . . . -177.92(18) ?
    C2 C1 C8 N2 . . . . -178.25(16) ?
    C2 C1 C8 C9 . . . . 0.7(3) ?
    C7 N2 C8 C1 . . . . 177.61(17) ?
    C7 N2 C8 C9 . . . . -1.3(3) ?
    C5 C9 C4 C3 . . . . 178.74(18) ?
loop_
    _geom_hbond_atom_site_label_d
    _geom_hbond_atom_site_label_h
    _geom_hbond_atom_site_label_a
    _geom_hbond_site_symmetry_d
    _geom_hbond_site_symmetry_h
    _geom_hbond_site_symmetry_a
    _geom_hbond_distance_dh
    _geom_hbond_distance_ha
    _geom_hbond_distance_da
    _geom_hbond_angle_dha
    _geom_hbond_publ_flag
    N1 H1A Cl1 ? ? ? 0.881(12) 2.314(14) 3.1309(16) 154(2) yes
    N1 H1B Cl2 . . 2_655 0.886(13) 2.388(14) 3.1747(17) 148(2) yes
    N1 H1C Cl3 . . 1_455 0.88(2) 2.48(2) 3.2415(16) 145.4(17) yes
    N2 H2 Cl4 . . . 0.860(16) 2.254(17) 3.0958(16) 166(2) yes
    C7 H7 Cl1 . . 2_645 0.9300 2.7100 3.584(2) 157.00 yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     0.194
_shelx_estimated_absorpt_T_max     0.311
