10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione
The asymmetric unit of the title compound, C26H25ClN2O3, contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-01-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813034107 |
| _version_ | 1818971395206414336 |
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| author | R.A. Nagalakshmi J. Suresh K. Malathi R. Ranjith Kumar P. L. Nilantha Lakshman |
| author_facet | R.A. Nagalakshmi J. Suresh K. Malathi R. Ranjith Kumar P. L. Nilantha Lakshman |
| author_sort | R.A. Nagalakshmi |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C26H25ClN2O3, contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both molecules, the six-membered piperidin-3-one rings have chair conformations. In molecule A, all four five-membered rings have twist conformations. In molecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intramolecular O—H...N hydrogen bond occurs in each independent molecule while a C—H...O interaction is also observed in molecule A. In the crystal, pairs of O—H...O hydrogen bonds link the molecules, forming inversion dimers with graph-set motif R22(12). These dimers are further interconnected by C—H...O and C—H...π interactions, forming a three-dimensional network. |
| first_indexed | 2024-12-20T14:51:41Z |
| format | Article |
| id | doaj.art-67d5ec1669eb44a08db72773e4480de8 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T14:51:41Z |
| publishDate | 2014-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-67d5ec1669eb44a08db72773e4480de82022-12-21T19:36:57ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-01-01701o97o9810.1107/S1600536813034107ds223610-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dioneR.A. Nagalakshmi0J. Suresh1K. Malathi2R. 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 asymmetric unit of the title compound, C26H25ClN2O3, contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both molecules, the six-membered piperidin-3-one rings have chair conformations. In molecule A, all four five-membered rings have twist conformations. In molecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intramolecular O—H...N hydrogen bond occurs in each independent molecule while a C—H...O interaction is also observed in molecule A. In the crystal, pairs of O—H...O hydrogen bonds link the molecules, forming inversion dimers with graph-set motif R22(12). These dimers are further interconnected by C—H...O and C—H...π interactions, forming a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S1600536813034107 |
| spellingShingle | R.A. Nagalakshmi J. Suresh K. Malathi R. Ranjith Kumar P. L. Nilantha Lakshman 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione Acta Crystallographica Section E |
| title | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
| title_full | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
| title_fullStr | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
| title_full_unstemmed | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
| title_short | 10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione |
| title_sort | 10 4 chlorophenyl 14a hydroxy 12 methyl 8 9 9a 10 12 13 14 14a octahydro 5h 10a 14 methanoindeno 2 1 4 5 azepino 3 4 b pyrrolizine 5 15 7h 11h dione |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813034107 |
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