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3,3,3',3'-Tetra-methyl-6,6'-bis-[(pyridin-4-yl)meth-oxy]-1,1'-spiro-biindane -monohydrate.

Zhang YJ, Sun Y, Gao SM, Jiang XQ, Deng YH - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The two five-membered rings of the indane groups have envelope conformations with the methyl-ene atoms adjacent to the spiro C atom forming the flaps.They have deviations from the mean plane of the other four atoms in the rings of 0.374 (4) and 0.362 (4) Å.The centroid-centroid distance between the planes is 3.7756 (17) Å, the perpendicular distance is 3.4478 (11) Å and the offset is 1.539 Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China.

ABSTRACT
The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol-ecule and a water mol-ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06 (5)°. The two five-membered rings of the indane groups have envelope conformations with the methyl-ene atoms adjacent to the spiro C atom forming the flaps. They have deviations from the mean plane of the other four atoms in the rings of 0.374 (4) and 0.362 (4) Å. In the crystal, molecules are linked to form inversion dimers via O-H⋯N hydrogen bonds involving the pyridine N atoms and the solvent water mol-ecule. The dimers are linked into a chain along the b axis by π-π stacking inter-actions between a pyridine ring and its centrosymmetrically related ring in an adjacent dimer. The centroid-centroid distance between the planes is 3.7756 (17) Å, the perpendicular distance is 3.4478 (11) Å and the offset is 1.539 Å.

No MeSH data available.


Related in: MedlinePlus

ORTEP drawing of title compound with the atom-numbering scheme, showing 30% probability displacement ellipsoids. (All labels of the H atoms are omitted for clarity, the dotted line represents as hydrogen bond).
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Fap1: ORTEP drawing of title compound with the atom-numbering scheme, showing 30% probability displacement ellipsoids. (All labels of the H atoms are omitted for clarity, the dotted line represents as hydrogen bond).


3,3,3',3'-Tetra-methyl-6,6'-bis-[(pyridin-4-yl)meth-oxy]-1,1'-spiro-biindane -monohydrate.

Zhang YJ, Sun Y, Gao SM, Jiang XQ, Deng YH - Acta Crystallogr Sect E Struct Rep Online (2012)

ORTEP drawing of title compound with the atom-numbering scheme, showing 30% probability displacement ellipsoids. (All labels of the H atoms are omitted for clarity, the dotted line represents as hydrogen bond).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379348&req=5

Fap1: ORTEP drawing of title compound with the atom-numbering scheme, showing 30% probability displacement ellipsoids. (All labels of the H atoms are omitted for clarity, the dotted line represents as hydrogen bond).
Bottom Line: The two five-membered rings of the indane groups have envelope conformations with the methyl-ene atoms adjacent to the spiro C atom forming the flaps.They have deviations from the mean plane of the other four atoms in the rings of 0.374 (4) and 0.362 (4) Å.The centroid-centroid distance between the planes is 3.7756 (17) Å, the perpendicular distance is 3.4478 (11) Å and the offset is 1.539 Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China.

ABSTRACT
The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol-ecule and a water mol-ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06 (5)°. The two five-membered rings of the indane groups have envelope conformations with the methyl-ene atoms adjacent to the spiro C atom forming the flaps. They have deviations from the mean plane of the other four atoms in the rings of 0.374 (4) and 0.362 (4) Å. In the crystal, molecules are linked to form inversion dimers via O-H⋯N hydrogen bonds involving the pyridine N atoms and the solvent water mol-ecule. The dimers are linked into a chain along the b axis by π-π stacking inter-actions between a pyridine ring and its centrosymmetrically related ring in an adjacent dimer. The centroid-centroid distance between the planes is 3.7756 (17) Å, the perpendicular distance is 3.4478 (11) Å and the offset is 1.539 Å.

No MeSH data available.


Related in: MedlinePlus