(Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
In the title compound, C18H17NO3S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intram...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-04-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813007423 |
| _version_ | 1831703052885688320 |
|---|---|
| author | M. Bakthadoss R. Selvakumar N. Manikandan S. Murugavel |
| author_facet | M. Bakthadoss R. Selvakumar N. Manikandan S. Murugavel |
| author_sort | M. Bakthadoss |
| collection | DOAJ |
| description | In the title compound, C18H17NO3S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular C—H...S hydrogen bond, which generates an S(7) ring motif. In the crystal, N—H...O and C—H...O hydrogen bonds link inversion-related molecules into dimers, incorporating R12(6) and R22(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H...O hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—H...π interactions. |
| first_indexed | 2024-12-20T15:33:44Z |
| format | Article |
| id | doaj.art-2abbc6f225ce4ea0aa388910c89f75f0 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T15:33:44Z |
| publishDate | 2013-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-2abbc6f225ce4ea0aa388910c89f75f02022-12-21T19:35:31ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-04-01694o562o56310.1107/S1600536813007423(Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-oneM. BakthadossR. SelvakumarN. ManikandanS. MurugavelIn the title compound, C18H17NO3S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular C—H...S hydrogen bond, which generates an S(7) ring motif. In the crystal, N—H...O and C—H...O hydrogen bonds link inversion-related molecules into dimers, incorporating R12(6) and R22(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H...O hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536813007423 |
| spellingShingle | M. Bakthadoss R. Selvakumar N. Manikandan S. Murugavel (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one Acta Crystallographica Section E |
| title | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| title_full | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| title_fullStr | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| title_full_unstemmed | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| title_short | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| title_sort | z 3 3 4 dimethoxybenzylidene 2 3 dihydro 1 5 benzothiazepin 4 5h one |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813007423 |
| work_keys_str_mv | AT mbakthadoss z334dimethoxybenzylidene23dihydro15benzothiazepin45hone AT rselvakumar z334dimethoxybenzylidene23dihydro15benzothiazepin45hone AT nmanikandan z334dimethoxybenzylidene23dihydro15benzothiazepin45hone AT smurugavel z334dimethoxybenzylidene23dihydro15benzothiazepin45hone |