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N,N,N',N'-Tetra-kis(pyridin-4-yl)methane-diamine monohydrate.

Shin JW, Min KS - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title compound, C(21)H(18)N(6)·H(2)O, two 4,4'-dipyridyl-amine groups are linked by a methyl-ene C atom, which sits on a twofold axis.The lattice water mol-ecule is located slightly off a twofold axis, and is therefore disordered over two positions.The organic mol-ecules exhibit extensive offset face-to-face π-π inter-actions to symmetry equivalents [centroid-centroid distances = 3.725 (3) and 4.059 (3) Å].

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ABSTRACT
In the title compound, C(21)H(18)N(6)·H(2)O, two 4,4'-dipyridyl-amine groups are linked by a methyl-ene C atom, which sits on a twofold axis. The lattice water mol-ecule is located slightly off a twofold axis, and is therefore disordered over two positions. In the crystal, the organic mol-ecules and the water mol-ecule are linked by O-H⋯N hydrogen bonds. The organic mol-ecules exhibit extensive offset face-to-face π-π inter-actions to symmetry equivalents [centroid-centroid distances = 3.725 (3) and 4.059 (3) Å].

No MeSH data available.


Related in: MedlinePlus

An ellipsoid plot (40% probability) of the title compound. The unlabelled half of the molecule is related by a crystallographic 2-fold axis. The water molecule is disordered about a 2-fold axis (for clarity, only one component is shown).
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Fap1: An ellipsoid plot (40% probability) of the title compound. The unlabelled half of the molecule is related by a crystallographic 2-fold axis. The water molecule is disordered about a 2-fold axis (for clarity, only one component is shown).


N,N,N',N'-Tetra-kis(pyridin-4-yl)methane-diamine monohydrate.

Shin JW, Min KS - Acta Crystallogr Sect E Struct Rep Online (2012)

An ellipsoid plot (40% probability) of the title compound. The unlabelled half of the molecule is related by a crystallographic 2-fold axis. The water molecule is disordered about a 2-fold axis (for clarity, only one component is shown).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379210&req=5

Fap1: An ellipsoid plot (40% probability) of the title compound. The unlabelled half of the molecule is related by a crystallographic 2-fold axis. The water molecule is disordered about a 2-fold axis (for clarity, only one component is shown).
Bottom Line: In the title compound, C(21)H(18)N(6)·H(2)O, two 4,4'-dipyridyl-amine groups are linked by a methyl-ene C atom, which sits on a twofold axis.The lattice water mol-ecule is located slightly off a twofold axis, and is therefore disordered over two positions.The organic mol-ecules exhibit extensive offset face-to-face π-π inter-actions to symmetry equivalents [centroid-centroid distances = 3.725 (3) and 4.059 (3) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(21)H(18)N(6)·H(2)O, two 4,4'-dipyridyl-amine groups are linked by a methyl-ene C atom, which sits on a twofold axis. The lattice water mol-ecule is located slightly off a twofold axis, and is therefore disordered over two positions. In the crystal, the organic mol-ecules and the water mol-ecule are linked by O-H⋯N hydrogen bonds. The organic mol-ecules exhibit extensive offset face-to-face π-π inter-actions to symmetry equivalents [centroid-centroid distances = 3.725 (3) and 4.059 (3) Å].

No MeSH data available.


Related in: MedlinePlus