The structure ofo-nitrobenzoic acid

Abstract

o-Nitrobenzoic acid, NO2C6H4COOH, crystallized from aqueous alcohol mixture is triclinic, space group P I with a=7"55, b=4"99, c= 12.50/~; ~= 122.5 °, p= 95.3 °, r= 108.9°; ao (26°C), 1.567 g.cm-3; 0c for Z=2, 1.568 g.cm-3; u for Cu K~, 13.5 cm-1.The structure has been refined with the help of three-dimensional data and the molecular dimensions are compared with those of similar compounds. The effect of intramolecular overcrowding is to cause the exocyclic carbon atom and the nitrogen atom to be displaced out of the aromatic plane in opposite directions by 0.209 and 0.160/~ respectively; the C-C and C-N bonds are displaced sideways as well.The o-nitrobenzoic acid dimers are held in a stable structure by normal van der Waals interactions.

The crystal structures of 9-dicyanomethylenefluorene derivatives. II. 9-dicyanomethylene-2,7-dinitrofluorene

“…The range in C-H bond lengths, 0.95-1.06 A, is typical for X-ray results. Bond angles in the benzene rings of DDF follow closely the trend found in o-nitrobenzoic acid and various other nitro derivatives as pointed out by Sakore, Tavale & Pant (1967) in that the ring angle at the nitro group site is somewhat greater than 120 ° , angles at the ortho ring positions are less than 120 °, and the other three angles remain close to 120 ° . The pattern is perturbed in the DTF molecule by intramolecular overcrowding induced by the unpaired nitro group (Silverman & Yannoni, 1967a).…”

The molecular structure of o-carboxyphenyl methyl sulphoxide and o-carboxyphenyl methyl selenium oxide

“…The geometry in the carboxyl group is normal (NardeUi, Fava & Giraldi, 1962;Sundaralingam & Jensen, 1965;Sakore, Tavale & Pant, 1967). As mentioned above there is a short intramolecular contact between S(1) and 0(2) of 2.777 A.…”

1H–17O Nuclear-Quadrupole Double-Resonance Study of Hydrogen Disorder in 2-Nitrobenzoic Acid

“…The molecules of 2-nitrobenzoic acid also form dimers in the solid state (8). A hydrogen bonded dimer is schematically shown in Fig.…”