Abstract
In the title compound, C20H15ClN2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methyl-ene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and chloro-benzene rings is 74.5 (1)°. The heterocyclic ring forms dihedral angles of 37.9 (1) and 64.3 (1)° with the phenyl and chloro-benzene rings, respectively. In the crystal, weak C-H⋯O inter-actions feature predominantly within the three-dimensional architecture. The inter-molecular inter-actions are further analysed with the calculation of the Hirshfeld surfaces highlighting the prominent role of C-H⋯O inter-actions, along with H⋯H (36.8%) and C⋯H/H⋯C (26.5%) contacts.
Highlights
In the title compound, C20H15ClN2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methylene-C atom nearest to the five-membered ring being the flap atom
The intermolecular interactions are further analysed with the calculation of the Hirshfeld surfaces highlighting the prominent role of C—HÁ Á ÁO interactions, along with HÁ Á ÁH (36.8%) and CÁ Á ÁH/HÁ Á ÁC (26.5%) contacts
The intermolecular interactions in the crystal state can be visualized through the calculation of the Hirshfeld surfaces and associated two-dimensional fingerprint plots
Summary
Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz þ 1; (ii) Àx þ 1; y; Àz þ 12; (iii) x; Ày þ 2; z þ 12; (iv) x À 12; y À 12; z À 1. The molecular packing features two ring motifs, viz., R22(10) and R22(16) (Bernstein et al, 1995), each around an inversion centre, through two C—HÁ Á ÁO interactions, i.e. C7—H7Á Á ÁO1ii and C5—H5Á Á ÁO1i, respectively, Fig. 2; for symmetry codes, refer to Table 1. The intermolecular interactions in the crystal state can be visualized through the calculation of the Hirshfeld surfaces and associated two-dimensional fingerprint plots The different types of intermolecular interactions can be identified by colour-coding distances from the surface to the nearest atom exterior (de) or interior (di) plots to the surface.
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