Abstract
The asymmetric unit of the title compound, [Fe(C5H5)(C12H7ClNO)], consists of one ferrocenyl group bonded to chlorobenzo[d]oxazole. The conformation of the ferrocenyl moiety is slightly away from eclipsed. The bond angles between the 5-chloro-benzoxazole and ferrocenyl fragments are N—C—C = 127.4 (7)° and O—C—C = 116.8 (7)°. The benzo[d]oxazole ring is planar (r.m.s. deviation = 0.0042 Å) and makes an angle of 11.3 (4)° with the cyclopentadienyl ring attached to it. The crystal packing is characterized by intermolecular π–π contacts, resulting in chain formation along the b-axis direction. The centroid-to-centroid distance between the six- and five-membered rings is 3.650 (5) Å. Together with a C—H...π interaction, these intermolecular contacts form laminar arrays along the ac plane.
Highlights
The asymmetric unit of the title compound, [Fe(C5H5)(C12H7ClNO)], consists of one ferrocenyl group bonded to chlorobenzo[d]oxazole
An intermolecular interaction C17—H17Á Á ÁCg2ii [Cg2 is the centroid of ring C1–C5; H17Á Á ÁCg2 = 3.322 A ; symmetry code: (ii) Àx + 1, y À 12, Àz + 1] of type C—HÁ Á Á is present
We present here a continuation of this work, we present here the synthesis of 2-ferrocenylbenzoxazoles and the crystal structure of 5-chloro-2-ferrocenylbenzo[d]oxazole
Summary
Benzoxazoles are among the most important compounds in heterocyclic compounds. They exhibit remarkable pharmacological activities, are used as building blocks for biochemical and pharmaceutical agents (Singh et al, 2015), including antibiotic, antimicrobial, antivirals, dyes, fluorescent brightening agents, biomarkers, biosensors and fluorescent materials (Zhang et al, 2017). An intermolecular interaction C17—H17Á Á ÁCg2ii [Cg2 is the centroid of ring C1–C5; H17Á Á ÁCg2 = 3.322 A ; symmetry code: (ii) Àx + 1, y À 12, Àz + 1] of type C—HÁ Á Á is present All these intermolecular contacts form a laminar array along the ac plane. Their structures, such as ferrocifen, tamoxifen (Top et al, 2003; Jaouen et al, 2015) and ferroquine, which are excellent anticancer and antimalarial agents (Dubar et al, 2008) In this context, it is proposed that due to the synergy between a benzoxazole and a ferrocene unit present in a molecule, it should exhibit an important biological activity. There is a slight deviation from the coplanarity with the 5-chloro-
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