The crystal structure and characterization of a co-product in the synthesis of a Schiff base give evidence of its zwitterionic nature in the solid state
Rodríguez, M. R.; Espino, G. A.; Piro, O. E.; Echeverría, G. A.; Parajón-Costa, B. S.; González-Baró, A. C.; New Journal of Chemistry 46 (2022) 3130–3139; doi:10.1039/D1NJ04537G

data_7061246
_publ_section_title
;
 The crystal structure and characterization of a co-product in the
 synthesis of a Schiff base give evidence of its zwitterionic nature in
 the solid state
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3130
_journal_page_last               3139
_journal_paper_doi               10.1039/D1NJ04537G
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C21 H19 N O4 S'
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_chemical_name_systematic
(6R,12S)-4,10-dimethoxy-13-(thiophen-2-ylmethyl)-6,12-dihydro-6,12-epiminodibenzo[b,f][1,5]dioxocine
_space_group_crystal_system      triclinic
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2021-09-13 deposited with the CCDC.	2022-01-24 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_description       fragment
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'Re-crystallisation from solvent: Ethanol'
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_refine_ls_R_factor_gt           0.0681
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1496P)^2^+0.1581P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2969
_reflns_number_total             3552
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj04537g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7061246.cif.'
_cod_original_cell_volume        898.10(11)
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_shelx_shelxl_version_number     2014/7
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