Growth, crystal structure, Hirshfeld surface, dielectric and mechanical properties of a new organic single crystal: 'Bis glycine' squarate. Issue 29 (3rd March 2016)

• Record Type: Journal Article
• Authors: Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay
• Is Part Of: RSC advances. Volume 6:Issue 29(2016)
• Page Start: 24565
• Page End: 24576
• Publication Date: 2016-03-03
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c5ra18983g
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : Crystal structure and morphology of the novel BGSQ single crystal with Hirshfeld surface and high transmission in UV-Vis region. Abstract : A novel transparent organic crystal 'Bis glycine' squarate has been grown by a slow evaporation method. Single crystal XRD confirms the monoclinic lattice with space group C 2/ c in BGSQ crystal with a refinement value ( R ) of 0.06. The molecular electron charge density distribution of the BGSQ compound is described. The growth rate of the BGSQ crystal is estimated by morphological study. The Hirshfeld surface gives information about intermolecular interactions within the crystal structure and the fingerprint plot shows the nature and type of intermolecular close contact experienced by the molecules in a crystal. The FTIR spectrum confirms the various functional groups present in the grown crystal. Thermal stability and melting point (182.20 °C) were studied with TGA-DTA. The low value of the dielectric constant of BGSQ suggests that the crystal can be used in the microelectronics industry. In UV spectra, a lower cutoff value at 280 nm and a wide band gap of 4.25 eV for the BGSQ crystal are observed. Meyer's index number (1.817) in hardness studies confirmed the soft nature of the crystals. Voids have been used to describe the mechanical strength of crystalline materials.