1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazol-4-yl)propan-1-one
In the title compound, C(25)H(22)N(2)OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-m...
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| Published in | Acta crystallographica. Section E, Structure reports online Vol. 67; no. Pt 8; pp. o2010 - o2011 |
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| Main Authors | , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
International Union of Crystallography
01.08.2011
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| Abstract | In the title compound, C(25)H(22)N(2)OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-molecular C-H⋯O and C-H⋯π inter-actions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) Å. |
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| AbstractList | In the title compound, C
25
H
22
N
2
OSe, the fused six-membered cyclohexene ring of the 4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak intermolecular C—H⋯O and C—H⋯π interactions in the crystal structure. Intermolecular π–π stacking is also observed between the naphthyl units, with a centroid–centroid distance of 3.529 (15) Å. In the title compound, C(25)H(22)N(2)OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak inter-molecular C-H⋯O and C-H⋯π inter-actions in the crystal structure. Inter-molecular π-π stacking is also observed between the naphthyl units, with a centroid-centroid distance of 3.529 (15) Å. In the title compound, C25H22N2OSe, the fused six-membered cyclohexene ring of the 4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole group adopts a near half-chair conformation and the five-membered 1,2,3-selenadiazole ring is essentially planar (r.m.s. deviation = 0.004 Å). There are weak intermolecular C—H...O and C—H...π interactions in the crystal structure. Intermolecular π–π stacking is also observed between the naphthyl units, with a centroid–centroid distance of 3.529 (15) Å. |
| Author | Jeyakanthan, J Nachiappan, M Chitra, S Muthusubramanian, S Krishna, R Muthukumaran, J Manisankar, P Bhattacharya, Suman |
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| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/22091044$$D View this record in MEDLINE/PubMed |
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| References | 12551772 - Ultrason Sonochem. 2003 Mar;10(2):115-8 19171970 - Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55 21110339 - Arch Pharm (Weinheim). 2010 Nov;343(11-12):680-91 2089395 - Pharmazie. 1990 Oct;45(10):791-2 18156677 - Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 |
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| Snippet | In the title compound, C(25)H(22)N(2)OSe, the fused six-membered cyclo-hexene ring of the 4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazole group adopts a near... In the title compound, C 25 H 22 N 2 OSe, the fused six-membered cyclohexene ring of the 4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole group adopts a near... In the title compound, C25H22N2OSe, the fused six-membered cyclohexene ring of the 4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole group adopts a near half-chair... |
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| Title | 1-(2-Naphth-yl)-3-phenyl-3-(4,5,6,7-tetra-hydro-1,2,3-benzoselenadiazol-4-yl)propan-1-one |
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