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(1R,3S)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3-dimethyl-urea).

Maliha B, Tariq MI, Tahir MN, Hussain I, Siddiqui HL - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: Intra-molecular C-H⋯O hydrogen bonds result in the formation of three five-membered rings having envelope conformations.In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(20) ring motifs, which produce two-dimensional polymeric sheets extending along the b axis.The H atoms of one of the methyl groups are disordered over two positions and were refined with occupancies of 0.50.

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ABSTRACT
In the mol-ecule of the title compound, C(14)H(20)N(4)O(3), the five-membered ring adopts an envelope conformation with the O atom displaced by 0.207 (3) Å from the plane of the other ring atoms. Intra-molecular C-H⋯O hydrogen bonds result in the formation of three five-membered rings having envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(20) ring motifs, which produce two-dimensional polymeric sheets extending along the b axis. There are also two C-H⋯π inter-actions. The H atoms of one of the methyl groups are disordered over two positions and were refined with occupancies of 0.50.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are shown as dashed lines.
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Fap1: The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are shown as dashed lines.


(1R,3S)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3-dimethyl-urea).

Maliha B, Tariq MI, Tahir MN, Hussain I, Siddiqui HL - Acta Crystallogr Sect E Struct Rep Online (2008)

The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2967959&req=5

Fap1: The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are shown as dashed lines.
Bottom Line: Intra-molecular C-H⋯O hydrogen bonds result in the formation of three five-membered rings having envelope conformations.In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(20) ring motifs, which produce two-dimensional polymeric sheets extending along the b axis.The H atoms of one of the methyl groups are disordered over two positions and were refined with occupancies of 0.50.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the mol-ecule of the title compound, C(14)H(20)N(4)O(3), the five-membered ring adopts an envelope conformation with the O atom displaced by 0.207 (3) Å from the plane of the other ring atoms. Intra-molecular C-H⋯O hydrogen bonds result in the formation of three five-membered rings having envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(20) ring motifs, which produce two-dimensional polymeric sheets extending along the b axis. There are also two C-H⋯π inter-actions. The H atoms of one of the methyl groups are disordered over two positions and were refined with occupancies of 0.50.

No MeSH data available.


Related in: MedlinePlus