The crystal structure of pyridine 1-oxide

Ülkü, D.; Huddle, B.P.; Morrow, J. C.

doi:10.1107/s0567740871002334

Cited by 66 publications

(8 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…angles, all other distances and angles were kept constant in the refinement processes ( Table 1). The calculated distances agree with those found in the parent compounds (Ü lkü et al, 1971;Chiang, 1974;Ohms et al, 1985;Vorontsov, 2002;Fillaux et al, 2003), with the N-O distance of 1.39 Å typical of a very limited -bond character (Ü lkü et al, 1971). The molecular thermal motions of the rigid body and of the satellite methyl group were refined by means of the appropriate molecular displacement tensors, the TLS matrices (Schomaker & Trueblood, 1968).…”

Section: Methodssupporting

confidence: 80%

Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature

Damay¹,

Carretero-Genevrier²,

Cousson³

et al. 2006

Acta Crystallogr Sect B

View full text Add to dashboard Cite

The structure of 4-methylpyridine-N-oxide has been determined at 250, 100 and 10 K by combined synchrotron (C(6)H(7)NO) and neutron (C(6)D(7)NO) powder diffraction experiments. At 250 K the space group is I4(1)/amd and the tetragonal unit cell [a = b = 7.941 (2), c = 19.600 (5) A] contains eight equivalent molecules. At 100 K the structure is orthorhombic, with space group Fddd, a = 12.138 (2), b = 10.237 (2) and c = 19.568 (3) A. The 16 equivalent molecules are rotated by about 8 degrees around the c axis with respect to positions at high temperature. At 10 K the best structural model corresponds to a tetragonal unit cell with the space group P4(1), a = b = 15.410 (2) A and c = 19.680 (3) A. The 32 molecules (eight molecules in the asymmetric unit) show complex reorientations around the three cell axes. Whereas at 250 and 100 K the deuterated methyl groups are largely disordered, at 10 K they are ordered in-phase along infinite chains parallel to a and b. Face-to-face methyl groups along c are in an eclipsed configuration. The structure at 10 K suggests that the manifold of rotational tunnelling transitions could be due to inequivalent lattice sites for crystallographically independent methyl groups.

show abstract

Section: Methodssupporting

confidence: 80%

Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature

Damay¹,

Carretero-Genevrier²,

Cousson³

et al. 2006

Acta Crystallogr Sect B

View full text Add to dashboard Cite

show abstract

“…powder (70%). The same strong hygroscopic character was previously noted for pyridine N-oxide (Ü lkü et al, 1971;Patyk et al, 2014). The powder was dissolved in diethyl ether and left to slowly evaporate at 277 K, to give clear colourless crystals (m.p.…”

Section: Synthesis and Crystallizationsupporting

confidence: 66%

Crystal structure of 3,5-dimethylpyridineN-oxide dihydrate

et al. 2016

View full text Add to dashboard Cite

show abstract

“…These distances are indicative of π-π interactions, as seen, for example between occluded xylene isomers in the related material MIL-53(Fe), 16 but it is interesting to note that in solid pyridine-N-oxide itself the crystal structures does not show this parallel stacking of the aromatic rings, and instead short intermolecular C-O interactions are seen giving a more irregular interaction between adjacent molecules. 32 The pendant PNO ligands fill the void space that would otherwise be present in the structure: a space filling representation of the structure shows it to possess minimal voids (ESI †), the PLATON software 33 calculates minimal void space (~6 %) per unit cell but no voids are large enough to accommodate any simple molecular species, and indeed nitrogen adsorption isotherm measurement of the pure cobalt material reveal no uptake of gas beyond that expected for surface adsorption by a polycrystalline powder. Thus the structures can be considered non-porous.…”

Section: Resultsmentioning

confidence: 99%