Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate
Pirimova, Mehribon; Torambetov, Batirbay; Kadirova, Shakhnoza; Ziyaev, Abdukhakim; Gonnade, Rajesh G.; Ashurov, Jamshid; Acta Crystallographica Section E 78 (2022) –; doi:10.1107/S2056989022006922

data_2244128
_publ_section_title
;
 Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II)
 coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate
;
_journal_coeditor_code           DJ2049
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2056989022006922
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          '[Zn (C8 H5 N2 O S)2]'
_chemical_formula_moiety         'C16 H10 N4 O2 S2 Zn'
_chemical_formula_sum            'C16 H10 N4 O2 S2 Zn'
_chemical_formula_weight         419.79
_chemical_name_systematic
'<i>catena</i>-Poly[zinc(II)-bis(\m~2~-5-phenyl-1,3,4-oxadiazole-2-thiolato)-\k^2^<i>N</i>^3^:<i>S</i>;\k^2^<i>S</i>: <i>N</i>^3^]'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
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Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_cell_angle_alpha                90
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_cell_measurement_temperature    293(2)
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CrysAlisPro (Rigaku OD, 2020)
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CrysAlisPro (Rigaku OD, 2020)
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CrysAlisPro (Rigaku OD, 2020)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>SHELXL2016/6</i> (Sheldrick, 2015b)
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<i>SHELXT2014/5</i> (Sheldrick, 2015a)
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_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'four-circle diffractometer'
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'XtaLAB Synergy, single source at home/near, HyPix3000'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_type           'Cu K\a'
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_diffrn_reflns_limit_h_max       23
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_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_theta_min         4.376
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;
(CrysAlisPro; Rigaku OD, 2020)
;
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_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
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_refine_diff_density_min         -0.334
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'w=1/[\s^2^(Fo^2^)+(0.0425P)^2^+0.6399P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                1536
_reflns_number_total             1634
_reflns_threshold_expression     'I > 2\s(I)'
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