1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate


Autoria(s): Reddy, Palakshi B; Vijayakumar, V; Sarveswari, S; Narasimhamurthy, T; Tiekink, Edward RT
Data(s)

01/03/2010

Resumo

The 1,4-dihydropyridine ring in the title hydrate, C17H18BrNO2 center dot H2O, has a flattened-boat conformation, and the benzene ring is occupies a position orthogonal to this [dihedral angle: 82.19 (16)degrees]. In the crystal packing, supramolecular arrays mediated by N-H center dot center dot center dot O-water and O-water-H center dot center dot center dot O-carbonyl hydrogen bonding are formed in the bc plane. A highly disordered solvent molecule is present within a molecular cavity defined by the organic and water molecules. Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, molecular weight and density are given without taking into account the contribution of the solvent molecule.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/26413/1/hg2647.pdf

Reddy, Palakshi B and Vijayakumar, V and Sarveswari, S and Narasimhamurthy, T and Tiekink, Edward RT (2010) 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate. In: Acta Crystallographica Section E, 66 (Part 3). O658-U5381.

Publicador

International Union of Crystallography.

Relação

http://journals.iucr.org/e/issues/2010/03/00/issconts.html

http://eprints.iisc.ernet.in/26413/

Palavras-Chave #Materials Research Centre
Tipo

Journal Article

PeerReviewed