Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids
Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh; New Journal of Chemistry 46 (2022) 19648–19657; doi:10.1039/D2NJ02616C

data_7061918
_publ_section_title
;
 Deciphering C--H&#x22EF;O/X weak hydrogen bonding and halogen bonding
 interactions in aromatic peptoids
;
_journal_issue                   41
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19648
_journal_page_last               19657
_journal_paper_doi               10.1039/D2NJ02616C
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C19 H19 Br N2 O4'
_chemical_formula_sum            'C19 H19 Br N2 O4'
_chemical_formula_weight         419.27
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-01-22 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1065P)^2^+0.6590P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 7061918--7061922.cif.'
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