Premium
Crystal structure and optical properties of 4‐nitrophenyl 4‐butoxybenzoate
Author(s) -
Franklin S.,
Balasubramanian T.,
Padmini V.,
Sulocha.
Publication year - 2008
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200800133
Subject(s) - monoclinic crystal system , stacking , crystallography , intermolecular force , molecule , crystal structure , hydrogen bond , crystal (programming language) , chemistry , materials science , organic chemistry , computer science , programming language
The title compound, C 17 H 17 N 1 O 5 , has been synthesized and characterized by single crystal X‐ray analysis and UV‐Vis spectra. The crystals are monoclinic, P 2 1 / c , a = 17.994 (5) Å, b = 4.0592 (9) Å, c = 21.625 (5) Å, β = 99.634 (5)°, V = 1557.2 (6) Å 3 and Z = 4. The molecule has an almost stretched form with a molecular length of 17.505 Å and an imbricated structure known for liquid crystals. The structure contains no direction‐specific intermolecular interactions like aromatic π‐π stacking and C‐H… π(arene) other than two weak C‐H…O hydrogen bonds. Good optical transmittance in the entire visible region of the UV‐Vis spectrum suggests that it is a potential candidate for optoelectronic applications. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)