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2,4-Dichloro­benzaldehyde picolinoylhydrazone

✍ Scribed by Xie, Yue-Qin ;Sheng, Liang-Quan ;Zhu, Wei ;Shao, Si-Chang

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
261 KB
Volume
62
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title molecule, C 13 H 9 Cl 2 N 3 O, adopts a trans configuration with respect to the C N double bond. There are two molecules in the asymmetric unit. The dihedral angles between the two rings are 17.2 (3) and 145.4 (3) . The crystal structure is stabilized by intermolecular N-HÁ Á ÁO hydrogen bonds which link the molecules into a chain structure.

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In the title compound, C~13~H~8~Cl~2~N~4~O~4~, the dinitrophenylhydrazone and benzene ring planes are nearly coplanar, making a dihedral angle of 3.39 (9)°. There is an intramolecular N—H...O interaction and weak intermolecular C—H...O hydrogen-bonding interactions which stabilize the packing.

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Density functional theory calculations a
Density functional theory calculations and vibrational spectra of 3,5 dichloro hydroxy benzaldehyde and 2,4 dichloro benzaldehyde
✍ V. Krishnakumar; R. Mathammal 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 275 KB

## Abstract The solid‐phase Fourier transform infrared (FT‐IR) and FT‐Raman spectra of 3,5 dichloro hydroxy benzaldehyde (DHB) and 2,4 dichloro benzaldehyde (DB) have been recorded in the regions 4000–400 and 4000–0 cm^−1^, respectively. Theoretical information on the optimized geometry, harmonic v