Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
The molecules of the two isotypic title compounds, C25H24BrN3, (I), and C25H24FN3, (II), comprise a 2-iminopyridine ring fused with a cyclooctane ring. In (I), the cyclooctane ring adopts a twisted chair–chair conformation, while in (II), this ring adopts a twisted boat–chair conformation. The dihed...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-11-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814022016 |
| _version_ | 1798019048075689984 |
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| author | R. A. Nagalakshmi J. Suresh S. Maharani R. Ranjith Kumar P. L. Nilantha Lakshman |
| author_facet | R. A. Nagalakshmi J. Suresh S. Maharani R. Ranjith Kumar P. L. Nilantha Lakshman |
| author_sort | R. A. Nagalakshmi |
| collection | DOAJ |
| description | The molecules of the two isotypic title compounds, C25H24BrN3, (I), and C25H24FN3, (II), comprise a 2-iminopyridine ring fused with a cyclooctane ring. In (I), the cyclooctane ring adopts a twisted chair–chair conformation, while in (II), this ring adopts a twisted boat–chair conformation. The dihedral angles between the planes of the pyridine ring and the bromobenzene and phenyl rings are 80.14 (12) and 71.72 (13)°, respectively, in (I). The equivalent angles in (II) are 75.25 (8) and 68.34 (9)°, respectively. In both crystals, inversion dimers linked by pairs of C—H...N interactions generate R22(14) loops, which are further connected by weak C—H...π interactions, generating (110) sheets. |
| first_indexed | 2024-04-11T16:34:23Z |
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| id | doaj.art-0761e48c96ff4c51aa035fcae4d5750f |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:34:23Z |
| publishDate | 2014-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-0761e48c96ff4c51aa035fcae4d5750f2022-12-22T04:13:52ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-11-01701134434710.1107/S1600536814022016hb7284Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrileR. A. Nagalakshmi0J. Suresh1S. Maharani2R. Ranjith Kumar3P. L. Nilantha Lakshman4Department of Physics, The Madura College, Madurai 625 011, IndiaDepartment of Physics, The Madura College, Madurai 625 011, IndiaDepartment of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, IndiaDepartment of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, IndiaDepartment of Food Science and Technology, University of Ruhuna, Mapalana, Kamburupitiya 81100, Sri LankaThe molecules of the two isotypic title compounds, C25H24BrN3, (I), and C25H24FN3, (II), comprise a 2-iminopyridine ring fused with a cyclooctane ring. In (I), the cyclooctane ring adopts a twisted chair–chair conformation, while in (II), this ring adopts a twisted boat–chair conformation. The dihedral angles between the planes of the pyridine ring and the bromobenzene and phenyl rings are 80.14 (12) and 71.72 (13)°, respectively, in (I). The equivalent angles in (II) are 75.25 (8) and 68.34 (9)°, respectively. In both crystals, inversion dimers linked by pairs of C—H...N interactions generate R22(14) loops, which are further connected by weak C—H...π interactions, generating (110) sheets.http://scripts.iucr.org/cgi-bin/paper?S1600536814022016crystal structurecyclooctapyridinehydrogen bonding |
| spellingShingle | R. A. Nagalakshmi J. Suresh S. Maharani R. Ranjith Kumar P. L. Nilantha Lakshman Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile Acta Crystallographica Section E crystal structure cyclooctapyridine hydrogen bonding |
| title | Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile |
| title_full | Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile |
| title_fullStr | Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile |
| title_full_unstemmed | Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile |
| title_short | Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile |
| title_sort | isotypic crystal structures of 1 benzyl 4 4 bromophenyl 2 imino 1 2 5 6 7 8 9 10 octahydrocycloocta b pyridine 3 carbonitrile and 1 benzyl 4 4 fluorophenyl 2 imino 1 2 5 6 7 8 9 10 octahydrocycloocta b pyridine 3 carbonitrile |
| topic | crystal structure cyclooctapyridine hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814022016 |
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