Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.
Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; The Journal of organic chemistry 83 (2018) 3159–3163; doi:10.1021/acs.joc.8b00019

data_4035153
_publ_section_title
;
 Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides:
 Effect of Chloro-Substitution on Resonance and Distortion.
;
_journal_issue                   6
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              3159
_journal_page_last               3163
_journal_paper_doi               10.1021/acs.joc.8b00019
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C11 H12 Cl N O2'
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_cell_measurement_theta_min      3.174
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_diffrn_measurement_method       \w--scan
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;
 Flack x determined using 505 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(2)
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0396P)^2^+0.0699P] where P=(Fo^2^+2Fc^2^)/3'
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