Abstract

The mol-ecular structure of the title chalcone derivative, C15H10FNO3, is nearly planar and the mol-ecule adopts a trans configuration with respect to the C=C double bond. The nitro group is nearly coplanar with the attached benzene ring, which is nearly parallel to the second benzene ring. In the crystal, mol-ecules are connected by pairs of weak inter-molecular C-H⋯O hydrogen bonds into inversion dimers. The dimers are further linked by another C-H⋯O hydrogen bond and a C-H⋯F hydrogen bond into sheets parallel to (104). π-π inter-actions occur between the sheets, with a centroid-centroid distance of 3.8860 (11) Å. Hirshfeld surface analysis was used to investigate and qu-antify the inter-molecular inter-actions.

Highlights

  • The molecular structure of the title chalcone derivative, C15H10FNO3, is nearly planar and the molecule adopts a trans configuration with respect to the C C double bond

  • Molecules are connected by pairs of weak intermolecular C—HÁ Á ÁO hydrogen bonds into inversion dimers

  • The dimers are further linked by another C—HÁ Á ÁO hydrogen bond and a C—HÁ Á ÁF hydrogen bond into sheets parallel to (104). – interactions occur between the sheets, with a centroid–centroid distance of 3.8860 (11) A

Read more

Summary

Chemical context

Non-linear optics (NLO) is the study of interactions between intense light and matter, in which the dielectric polarization responds non-linearly to the electric field of the light. This non-linearity leads to frequency-mixing processes (second-, third- and high-harmonic generations), the optical Kerr effect etc (Boulanger & Zyss, 2006). In a continuation of our ongoing studies on non-linear optical properties of various chalcone derivatives (Chandra Shekhara Shetty et al, 2017; Ekbote et al, 2017; Kwong et al, 2018), we report the synthesis, structure determination and Hirshfeld surface analysis of the title compound.

Structural commentary
Supramolecular features
Hirshfeld surface analysis
54 Wong et al C15H10FNO3
Database survey
Synthesis and crystallization
Refinement
Findings
57 Wong et al C15H10FNO3 supporting information supporting information

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.