1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate
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 ce...
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| Format: | Article |
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International Union of Crystallography
2010
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| _version_ | 1796946839579131904 |
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| author | Reddy, P.B. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, E.R.T. |
| author_facet | Reddy, P.B. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, E.R.T. |
| author_sort | Reddy, P.B. |
| collection | UM |
| description | 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. |
| first_indexed | 2024-03-06T05:37:54Z |
| format | Article |
| id | um.eprints-15031 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:37:54Z |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | um.eprints-150312019-01-31T05:17:30Z http://eprints.um.edu.my/15031/ 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate Reddy, P.B. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, E.R.T. Q Science (General) 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. International Union of Crystallography 2010 Article PeerReviewed Reddy, P.B. and Vijayakumar, V. and Sarveswari, S. and Narasimhamurthy, T. and Tiekink, E.R.T. (2010) 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate. Acta Crystallographica Section E: Structure Reports Online, 66 (3). O658-U5381. ISSN 1600-5368, |
| spellingShingle | Q Science (General) Reddy, P.B. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, E.R.T. 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate |
| title | 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate |
| title_full | 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate |
| title_fullStr | 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate |
| title_full_unstemmed | 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate |
| title_short | 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]eth anone monohydrate |
| title_sort | 1 5 acetyl 4 4 bromophenyl 2 6 dimethyl 1 4 dihydropyridin 3 yl eth anone monohydrate |
| topic | Q Science (General) |
| work_keys_str_mv | AT reddypb 15acetyl44bromophenyl26dimethyl14dihydropyridin3ylethanonemonohydrate AT vijayakumarv 15acetyl44bromophenyl26dimethyl14dihydropyridin3ylethanonemonohydrate AT sarveswaris 15acetyl44bromophenyl26dimethyl14dihydropyridin3ylethanonemonohydrate AT narasimhamurthyt 15acetyl44bromophenyl26dimethyl14dihydropyridin3ylethanonemonohydrate AT tiekinkert 15acetyl44bromophenyl26dimethyl14dihydropyridin3ylethanonemonohydrate |