A redetermination of 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one at 120 (2) K

Abstract

Key indicatorsSingle-crystal X-ray study T = 120 K Mean (C-C) = 0.005 Å R factor = 0.052 wR factor = 0.127 Data-to-parameter ratio = 9.2 For details of how these key indicators were automatically derived from the article, see

X-ray structure, hydrogen bonding and lattice energy analysis of (2E)-1-(anthracen-9-yl)-3-(4-substitutedphenyl)prop-2-en-1-ones

“…Both the compounds crystallize in the monoclinic crystal system with space group P2 1 /c. The bond distances of compounds I and II show normal values [28] and are comparable with those observed in related structures [14][15][16][17]. The molecular structure of I is shown in figure 1.…”

“…The molecular structure of I is shown in figure 1. In title compound I, C 23 H 15 Cl 1 O 1 , the prop-2-en-1-one unit is planar and it makes dihedral angles of 1.52(15) • and 80.52 (17) • , respectively, with the 4-chlorophenyl ring and the anthracene ring system. In compound I, the anthracene ring system is planar and the molecule is twisted as indicated by the interplanar angle between the 4-chlorophenyl ring and the anthracene ring system, which is 79.32 (6) Molecular pairs of the compound I extracted from crystal structure along with their respective interaction energies are shown in figure 3.…”

“…NO is a potent vasodilator thatfacilitates leukocytic migration and formation of edema as well as leukocytic activity and cytokine production [2]. The crystal structures of some chalcone derivatives viz., 2,3-dibromo-1,3-bis(4-fluorophenyl)propan-1-one [14], 3-(3, 4-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one, 2-bromo-1-(4-methylphenyl)-3-[4-(methylsulphanyl) phenyl] prop-2-en-1-one [15], (2E)-1-(4-chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one [16] and 2-bromo-1-chlorophenyl-3-(4-methoxyphenyl)prop-2-en-1-one [17] have been reported. Keeping in view the wide range of activities of the chalcones, we report the crystal structure and lattice energy analysis of both the compounds.…”

“…Molecular pairs (1-8) with their interaction energies for compound I.also planar and it makes dihedral angles of 7.30(23) o and 86.96(17) o , respectively, with the 4-nitrophenyl ring and the anthracene ring system. In this compound the anthracene ring system is planar and the molecule is twisted as indicated by the interplanar angle between the 4-nitrorophenyl ring and the anthracene ring system, which is 88.87(6) • .…”

Synthesis, crystal growth and studies on non-linear optical property of new chalcones

“…It is speculated that in order to improve the activity more bulky substituents should be introduced to increase the spontaneous polarization of acentric crystal [14].The molecular hyperpolarizability, b are strongly influenced not only by the electronic effect but also by the steric effect of the substituent [15]. Prompted by this and in continuation of our quest to synthesize newer materials [16][17][18] which can find use in photonics industries, we have synthesized new chalcones and studied their SHG efficiency as reported in this paper.…”