Effect of intermolecular C–H⋯O interaction on the crystal structure and vibrational properties of 2,6-dimethyl-4-nitropyridine N-oxide

Hanuza, J.; Mączka, Mirosław; Waśkowska, A.; Oganowski, W.; Ban-Oganowska, H.; Lutz, E.T.G.; Maas, J.H. van der

doi:10.1016/s0022-2860(98)00429-3

Cited by 29 publications

(12 citation statements)

References 31 publications

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“…This behavior is different from that observed for 4-chloro-2,6-dimethyl-3-iodopyridine N-oxide and 3-chloro-, 3-bromo-and 3-iodo-2,6-dimethyl-4-nitropyridine N-oxides (ClDMNPNO, BrDMNPNO and IDMNPNO, respectively), where almost no bands were observed in this wavenumber region. 1,2,17 It is also worth noting that no bands are …”

Section: Number Of Modes and Assignmentsmentioning

confidence: 99%

Crystal structure and polarized vibrational spectra of 2‐bromo‐4‐nitropyridine N‐oxide single crystal

Hanuza

Michalski

Mączka

et al. 2002

J Raman Spectroscopy

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2-Bromo-4-nitropyridine N-oxide is orthorhombic, space group Pbca, with eight molecules per unit cell of dimensions a = 5.979.1/, b = 9.899.1/, c = 23.249.5/Å. The Br ion is nearly coplanar with the pyridine ring, while the two oxygen atoms of the nitro group are displaced above and below the ring by (−0.214Å) and (+0.053Å). The hydrogen bond of the type C -H· · ·O links the molecules into pairs around centers of symmetry. These dimers, arranged into layers related by glide planes, are held together solely by contacts of the van der Waals type. The polarized Fourier transform IR and Raman spectra, measured in the regions 30-3500 and 80-3500 cm −1 , respectively, are correlated with x-ray structural data. Comparison of the spectrum of the dissolved sample with the spectra obtained from the polycrystalline sample and single crystals shows the attractive character of the intermolecular C -H· · ·O contacts for these molecules. The temperature-dependent IR spectra suggest the presence of orientational disorder at higher temperatures.

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Section: Number Of Modes and Assignmentsmentioning

confidence: 99%

Crystal structure and polarized vibrational spectra of 2‐bromo‐4‐nitropyridine N‐oxide single crystal

Hanuza

Michalski

Mączka

et al. 2002

J Raman Spectroscopy

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show abstract

“…The analysis of electronic spectra in the solid state in the d-d range (UV range of the ligand spectra and their NMR data were studied elsewhere [30,32,33]) supports the division of the prepared compounds into two groups (1, 4-7 and 2-3) i.e. mono and dinuclear, respectively (Table 5).…”

Section: Electronic Spectramentioning

confidence: 63%

Methyl-substituted 4-nitropyridine N-oxides as ligands: Structural, spectroscopic, magnetic and cytotoxic characteristics of copper(II) complexes

Puszko

Wasylina

Pełczyńska

et al. 2007

Journal of Inorganic Biochemistry

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“…To allow for comparative studies of bond lengths and angles in envisioned coordination compounds, we determined the molecular and crystal structure of the title compound. Structural analyses for other pyridine-derived N-oxides are apparent in the literature [2,3]. The molecule shows non-crystallographic C s symmetry.…”

Section: Discussionmentioning

confidence: 99%

Crystal structure of 2-methyl-pyridine-N-oxide, C6H7NO

Betz¹,

Gerber²,

Schalekamp³

2011

Zeitschrift Für Kristallographie - New Crystal Structures

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Effect of intermolecular C–H⋯O interaction on the crystal structure and vibrational properties of 2,6-dimethyl-4-nitropyridine N-oxide

Cited by 29 publications

References 31 publications

Crystal structure and polarized vibrational spectra of 2‐bromo‐4‐nitropyridine N‐oxide single crystal

Crystal structure and polarized vibrational spectra of 2‐bromo‐4‐nitropyridine N‐oxide single crystal

Methyl-substituted 4-nitropyridine N-oxides as ligands: Structural, spectroscopic, magnetic and cytotoxic characteristics of copper(II) complexes

Crystal structure of 2-methyl-pyridine-N-oxide, C6H7NO

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