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5-Acetyl-4-(2-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidin-2(1H)-one.

Anuradha N, Thiruvalluvar A, Pandiarajan K, Chitra S, Butcher RJ - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The carbonyl, acetyl and methyl groups each have an equatorial orientation.In the crystal structure, inter-molecular N-H⋯O hydrogen bonds lead to a tape motif.The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.

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ABSTRACT
In the title mol-ecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.

No MeSH data available.


The crystal packing of (I), viewed down the c axis. Dashed lines indicate intermolecular contacts. H atoms not involved in hydrogen bonding have been omitted.
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Fap2: The crystal packing of (I), viewed down the c axis. Dashed lines indicate intermolecular contacts. H atoms not involved in hydrogen bonding have been omitted.


5-Acetyl-4-(2-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidin-2(1H)-one.

Anuradha N, Thiruvalluvar A, Pandiarajan K, Chitra S, Butcher RJ - Acta Crystallogr Sect E Struct Rep Online (2008)

The crystal packing of (I), viewed down the c axis. Dashed lines indicate intermolecular contacts. H atoms not involved in hydrogen bonding have been omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2960013&req=5

Fap2: The crystal packing of (I), viewed down the c axis. Dashed lines indicate intermolecular contacts. H atoms not involved in hydrogen bonding have been omitted.
Bottom Line: The carbonyl, acetyl and methyl groups each have an equatorial orientation.In the crystal structure, inter-molecular N-H⋯O hydrogen bonds lead to a tape motif.The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title mol-ecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation.

No MeSH data available.