Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)
Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson; Acta Crystallographica Section E 74 (2018) 1480–1485; doi:10.1107/S2056989018013361

data_2242649
_publ_section_title
;
 Different classical hydrogen-bonding patterns in three salicylaldoxime
 derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)
;
_journal_coeditor_code           QM2128
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1480
_journal_page_last               1485
_journal_paper_doi               10.1107/S2056989018013361
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C8 H9 N O2'
_chemical_formula_moiety         'C8 H9 N O2'
_chemical_formula_sum            'C8 H9 N O2'
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_chemical_name_systematic
;
2-Hydroxy-4-methylbenzaldehyde oxime
;
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;
CrysAlisPro (Rigaku OD, 2017)
;
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CrysAlisPro (Rigaku OD, 2017)
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CrysAlisPro (Rigaku OD, 2017)
;
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Mercury (Macrae <i>et al.</i>,  2006)
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Oscail (McArdle <i>et al.</i>,  2004),
<i>SHELXL2017/1</i> (Sheldrick, 2015b),
PLATON (Spek, 2009)
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;
Oscail (McArdle <i>et al.</i>,  2004),
<i>ShelXle</i> (H\"ubschle <i>et al.</i>,  2011),
<i>SHELXL2017/1</i> (Sheldrick, 2015b)
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Oscail (McArdle <i>et al.</i>,  2004),
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;
Rigaku FRE+ AFC12 with HyPix 6000 detector
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_exptl_absorpt_process_details
;
(CrysAlisPro ; Rigaku OD, 2017)
;
_exptl_crystal_colour            brown
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_exptl_crystal_size_mid          0.150
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_refine_diff_density_min         -0.202
_refine_ls_extinction_method     none
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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^)+(0.0569P)^2^+0.1857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0997
_reflns_number_gt                1560
_reflns_number_total             1696
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            qm2128sup1.cif
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_cod_database_code               2242649
_cod_database_fobs_code          2242649
_shelx_estimated_absorpt_t_min   0.976
_shelx_estimated_absorpt_t_max   0.998
_shelx_hkl_checksum              40315
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