Abstract
The title compound, C19H12N2O3, obtained as an intermediate in the synthesis of a pyrrole derivative, is composed of a five-membered heterocycle with substituted groups via double or triple bonds as well as single bonds, without an asymmetric carbon atom. An intramolecular O—H...O link occurs. In the crystal, O—H...N hydrogen bonds link the molecules.
Highlights
The title compound, C19H12N2O3, obtained as an intermediate in the synthesis of a pyrrole derivative, is composed of a five-membered heterocycle with substituted groups via double or triple bonds as well as single bonds, without an asymmetric carbon atom
We report the crystal structure of (Z)-1-benzoyl-5-benzylidene-2-hydroxy-4oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile, which crystallizes in a chiral space group despite there being no apparent chiral moiety in the molecule (Koshima & Matsuura, 1998; Matsuura & Koshima, 2005)
The almost planar moieties of the molecules, namely the phenyl and pyrrole rings, afford a helical step-like conformation with neighboring molecules aligned along the b-axis direction (Fig. 3)
Summary
Pyrrole is widely known as a biologically active scaffold, which possesses a diverse nature of activities (Tzankova et al, 2018). We report the crystal structure of (Z)-1-benzoyl-5-benzylidene-2-hydroxy-4oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile, which crystallizes in a chiral space group despite there being no apparent chiral moiety in the molecule (Koshima & Matsuura, 1998; Matsuura & Koshima, 2005). The molecular structure of the title compound (Fig. 1) is composed of a planar [maximum deviation of 0.051 (3) Afor atom C12] five-membered (N1/C8/C9/C11/C12) pyrrole ring in the usual geometry (Gainsford et al, 2013) and two phenyl rings (C1–C6 and C14–19) arranged approximately parallel to each other [dihedral angle = 15.2 (2); torsion angles N1—C12—C13—C14 = 2.9 (6) and C12—N1—C7—C6 = 23.0 (5)]. An intramolecular hydrogen bond (O2—H2Á Á ÁO1; Table 1) is observed
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