Abstract
Crystals of the title compound, C13H10N2O, were grown from a di-chloro-methane/ketone/methanol solvent mixture. It crystallizes with two mol-ecules, A and B, in the asymmetric unit with very similar almost planar conformations [dihedral angles between the ring planes = 0.74 (8) and 0.67 (6)° for mol-ecules A and B, respectively; r.m.s. overlay fit = 0.019 Å]. Each mol-ecule features an intra-molecular N-H⋯N hydrogen bond, which closes an S(6) ring and therefore establishes a syn relationship for the N atoms. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, generating [100] chains containing alternating A and B mol-ecules. Weak aromatic π-π stacking [minimum centroid-centroid separation = 3.6212 (9) Å] links the chains into a three-dimensional network.
Highlights
Crystals of the title compound, C13H10N2O, were grown from a dichloromethane/ketone/methanol solvent mixture
Molecules are linked by N—HÁ Á ÁN hydrogen bonds, generating [100] chains containing alternating A and B molecules
Benzoxazole derivatives have been used as building blocks for biochemical and pharmaceutical agents, as well as dyes, fluorescent brightening agents, biomarkers and biosensors (Costa et al 2007 and Tong et al 2005)
Summary
Benzimidazole, benzoxazole, and benzothiazole derivatives are key components in many bioactive compounds of both natural and synthetic origin; many are active components of biocides such as bactericides, fungicides, insecticides and anticarcinogens (Kumar-Samota & Seth, 2010). Benzoxazole derivatives have been used as building blocks for biochemical and pharmaceutical agents, as well as dyes, fluorescent brightening agents, biomarkers and biosensors (Costa et al 2007 and Tong et al 2005) In this context, 2-(2-aminophenyl)benzoxazole has shown considerable growth inhibition with respect to fungi and grampositive and gram-negative bacteria (Elnima et al 1981). 2-(2-aminophenyl)benzoxazole has shown considerable growth inhibition with respect to fungi and grampositive and gram-negative bacteria (Elnima et al 1981) For this reason, several methods have been described for the synthesis of these heterocyclic compounds, some of which are summarized in the Scheme, which shows the retrosynthesis for the preparation of the title compound, (I). The two independent molecules are very similar, with an r.m.s. overlay fit of 0.019 A
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