Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines
Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem; RSC Advances 14 (2024) 30873–30885; doi:10.1039/D4RA05861E

data_7249404
_publ_section_title
;
 Utilizing perhalopyridine-based alkynes as suitable precursors for the
 synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines
;
_journal_issue                   42
_journal_name_full               'RSC Advances'
_journal_page_first              30873
_journal_page_last               30885
_journal_paper_doi               10.1039/D4RA05861E
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'C14 H9 F2 N O3'
_chemical_formula_sum            'C14 H9 F2 N O3'
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Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
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_audit_update_record
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2024-08-02 deposited with the CCDC.	2024-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_max      24.995
_cell_measurement_theta_min      2.250
_cell_volume                     1285.3(7)
_computing_cell_refinement       'Automar software package (3.3a, 2015)'
_computing_data_collection       'MAR345 dtb Program (1.24-4, 2013)'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.973
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_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
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_exptl_absorpt_process_details   'Blessing, R. H. (1995).Acta Cryst.A51,33+-38'
_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0446P)^2^+1.2663P] where P=(Fo^2^+2Fc^2^)/3'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C013(H01A,H01B), C018(H01C,H01D), C019(H01E,H01F)
2.b :
 C015(H015), C016(H016), C022(H022)
;
_shelx_res_checksum              93025
_shelx_hkl_checksum              77908
_olex2_submission_special_instructions 'No special instructions were received'