Prediction of Molecular Geometries of Aromatic Six-membered Rings.

Norrestam, R.; Schepper, L.; Ingri, Nils; Wright, David; Selte, Kari

doi:10.3891/acta.chem.scand.35a-0091

Cited by 92 publications

(50 citation statements)

References 0 publications

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“…The cation in this structure exhibits similar distortions with the C(2)--C(1)--C(6), C(1)--C(2)--C(3) and C(1)--C(6)--C(5) bond angles being 125.2(1), 116.7 (1) and 115.6(1) °, respectively. All ring C----C--C angles in (I) agree closely with the predicted angles (Table 4) calculated by adding the distortion effects of the individual substituents, which were estimated by Domenicano & Murray-Rust (1979) and Norrestam & Schepper (1981).…”

Section: Commentsupporting

confidence: 70%

2,6-Dimethylphenylammonium Chloride at 173 and 293 K

Linden¹,

James²,

Liesegang³

1995

Acta Crystallogr C

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Section: Commentsupporting

confidence: 70%

2,6-Dimethylphenylammonium Chloride at 173 and 293 K

Linden¹,

James²,

Liesegang³

1995

Acta Crystallogr C

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“…The dichloropicrate ion also has normal bond distances and angles. In particular, the large deviations from 120 ° found in the ring angles are just those to be expected from the substituents on the ring (Norrestam & Schepper, 1978, 1981Domenicano & Murray-Rust, 1979;Murray-Rust, 1982).…”

Section: C(6r)--c(1r)-c(2r) 1151 (4) C(1r)-c(2r)-c(3r) 1233 (4) C(2mentioning

confidence: 98%

Bis(hydronium dichloropicrate)–1,4,7,10,13,16-hexaoxacyclooctadecane complex, 2[H3O+.C6(NO2)3Cl2O−].(CH2CH2O)6

Britton¹,

Chantooni²,

Wang³

et al. 1984

Acta Crystallogr C

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“…The ring angles at the H atoms (fl in biphenyl) were found from a large number of molecules to be an average of +1.0 (1) ° (Domenicano & Murray-Rust, 1979) and +0.87 (8) ° (Norrestam & Schepper, 1981) above 120 ° (e.s.d. given as units in the last digit).…”

Section: 4'-dichloro-33'55'-tetrafluorobiphenylmentioning

confidence: 99%