Structure of p-aminobenzoic acidi–1,3-dimethyl-2-imidazolidinone (1/1)

Abstract

Abstract. CTHTNO2.CsH10N2 O, Mr=251.3 , monoclinic, P21/c, a=7.965 (2), b= 12.559 (3), c= 14.250 (2)A, /~= 115.01 (2) o, v= 1291.8 (5)A 3, z =4, Dx=l.29Mgm -3, MoKa, 2=0.71070A, g = 0.09 mm -1, F(000) = 536, T= 293 K, final R = 0.077 for 1665 unique reflections. The complex is formed by hydrogen bonding between the carbonyl group of 1,3-dimethyl-2-imidazolidinone and the hydroxy group of p-aminobenzoic acid. The units are packed together with hydrogen bonding between amino groups and carbonyl groups of the p-aminobenzoic acid moieties. Both constituents of the complex are planar with normal bond lengths and angles.

Synthesis and Conformational Analysis of Sterically Congested (4R)-(−)-1-(2,4,6-Trimethylbenzenesulfonyl)-3-n-butyryl-4-tert-butyl-2-imidazolidinone: X-Ray Crystallography and Semiempirical Calculations

“…Atoms system ∠N2-C3-C2 of 3A, 3B, and 3C are deviated from ideal 3 angle by 6.2 ∘ , 6.8 ∘ , and 7.3 ∘ , respectively. Similarly ∠C3-C2-N1 system of 3A, 3B, and 3C deviates by 8.5 ∘ , 7.9 ∘ , and 7.8 ∘ , respectively, from the ideal value [17,18,20,[36][37][38][39][40][41]. The same pattern was observed with angle system ∠N2-C2-N2.…”

“…Similarly the geometries of ∠S1-N2-C1 and ∠S1-N2-C3 are also planar with bond angles ca. as 122.1 ∘ (3A), 122.6 ∘ (3B), 121.7 ∘ (3C), 124.5 ∘ (3A and 3B), and 125.4 ∘ (3C), respectively [17,18,20,[38][39][40][41]. This geometry makes the two nitrogen atoms in each molecule distinguishable from a geometrical point of view.…”

“…They adopt a transoid conformation and each n-butyryl group is nearly out of the plane of the corresponding 2-imidazolidinone (dihedral angles 6 ∘ ∼9 ∘ ). A remarkable structural feature of the solid-state structures of molecules 3A, 3B, and 3C is the bond angles, whereas the geometrical distortion is manifested in the smaller ∠C2-C3-N2 (102.2 ∘ ) and ∠N1-C2-C3 (101.0 ∘ ) bond angles (Figure 1, Table 3) [20,[38][39][40][41].…”

2-(2-Oxoimidazolidinyl)ethyl 2-methylprop-2-enoate

“…It should also be noted here that numerous reports have been devoted to the crystallographic structures of compounds containing imidazolidin-2-one as a part of a bicyclo[3.3.0] unit, for instance in biotin. However, only three X-ray crystal structures are known so far in which an uncomplexed imidazolidin-2-one group is substituted on at least one of the N atoms and does not feature substituents directly grafted onto its ethylene moiety (Peeters et al, 1984;Ueda et al, 1986;Jensen, 1988).…”

Synthesis, growth, structural, optical and thermal properties of an organic single crystal: 4-Nitroaniline 4-aminobenzoic acid

“…However, in crystal growth organic crystals have relatively weak intermolecular bindings and it is too difficult to grow high quality large size crystals compared with inorganic crystals. 4-Aminobenzoic acid (4-ABA) is one of the well known carboxylic acids to promoting molecular self assembly by means of strong hydrogen bonding through its carboxylic acid group and the ring substituted amino group of 4-nitroanilne (4-NA) [6][7][8][9][10]. Strong hydrogen bonds occur due to the polarizable hydrogen atom covalently bonded to an electron-withdrawing donor nitrogen atom and interact with a partially negatively charged and comparatively less polarizable acceptor oxygen atom, which will also increase the molecular hyperpolarizability [11].…”