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2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole.

Campos-Gaxiola JJ, Höpfl H, Aguirre G, Parra-Hake M - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring.As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged.The oxazole ring makes a dihedral angle of 6.920 (1)° with the pyridyl ring in the 2-position and 60.960 (2)° with the pyridyl rings in the 4- and 5-positions.

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ABSTRACT
In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring. As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged. The oxazole ring makes a dihedral angle of 6.920 (1)° with the pyridyl ring in the 2-position and 60.960 (2)° with the pyridyl rings in the 4- and 5-positions.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I) showing displacement ellipsoids at the 50% probability level. The molecule sits on a crystallographic 2-fold axis (symmetry operation: -x + 1,y,-z + 1/2]), which forces the oxazole ring to be disordered, so that the atoms labelled O1 and N1 occupy sites that are 50% oxygen and 50% nitrogen. These are labelled separately in the diagram to emphasize the chemical nature of the molecules.
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Fap1: The molecular structure of (I) showing displacement ellipsoids at the 50% probability level. The molecule sits on a crystallographic 2-fold axis (symmetry operation: -x + 1,y,-z + 1/2]), which forces the oxazole ring to be disordered, so that the atoms labelled O1 and N1 occupy sites that are 50% oxygen and 50% nitrogen. These are labelled separately in the diagram to emphasize the chemical nature of the molecules.


2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole.

Campos-Gaxiola JJ, Höpfl H, Aguirre G, Parra-Hake M - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of (I) showing displacement ellipsoids at the 50% probability level. The molecule sits on a crystallographic 2-fold axis (symmetry operation: -x + 1,y,-z + 1/2]), which forces the oxazole ring to be disordered, so that the atoms labelled O1 and N1 occupy sites that are 50% oxygen and 50% nitrogen. These are labelled separately in the diagram to emphasize the chemical nature of the molecules.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379436&req=5

Fap1: The molecular structure of (I) showing displacement ellipsoids at the 50% probability level. The molecule sits on a crystallographic 2-fold axis (symmetry operation: -x + 1,y,-z + 1/2]), which forces the oxazole ring to be disordered, so that the atoms labelled O1 and N1 occupy sites that are 50% oxygen and 50% nitrogen. These are labelled separately in the diagram to emphasize the chemical nature of the molecules.
Bottom Line: In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring.As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged.The oxazole ring makes a dihedral angle of 6.920 (1)° with the pyridyl ring in the 2-position and 60.960 (2)° with the pyridyl rings in the 4- and 5-positions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring. As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged. The oxazole ring makes a dihedral angle of 6.920 (1)° with the pyridyl ring in the 2-position and 60.960 (2)° with the pyridyl rings in the 4- and 5-positions.

No MeSH data available.


Related in: MedlinePlus