5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole
In the asymmetric unit of the title adamantyl derivative, C20H25N3S, there are two crystallographic independent molecules with slightly different conformations. In one molecule, the whole benzyl group is disordered over two orientations with the refined site-occupancy ratio of 0.63 (2)...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-08-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812030784 |
| id |
doaj-3f3d9ca955d84b51bc379a3f7e7cf32c |
|---|---|
| record_format |
Article |
| spelling |
doaj-3f3d9ca955d84b51bc379a3f7e7cf32c2020-11-25T01:56:49ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-08-01688o2427o242810.1107/S16005368120307845-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazoleEbtehal S. Al-AbdullahAli A. El-EmamHazem A. GhabbourSuchada ChantraprommaHoong-Kun FunIn the asymmetric unit of the title adamantyl derivative, C20H25N3S, there are two crystallographic independent molecules with slightly different conformations. In one molecule, the whole benzyl group is disordered over two orientations with the refined site-occupancy ratio of 0.63 (2):0.37 (2). The dihedral angles between the 1,2,4-triazole and phenyl rings are 24.3 (8) (major component) and 25.8 (13)° (minor component) in the disordered molecule, whereas the corresponding angle is 51.53 (16)° in the other molecule. In the crystal, molecules are linked into a chain along the a axis by a weak C—H...N interaction. Weak C—H...π interactions are also observed.http://scripts.iucr.org/cgi-bin/paper?S1600536812030784 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Ebtehal S. Al-Abdullah Ali A. El-Emam Hazem A. Ghabbour Suchada Chantrapromma Hoong-Kun Fun |
| spellingShingle |
Ebtehal S. Al-Abdullah Ali A. El-Emam Hazem A. Ghabbour Suchada Chantrapromma Hoong-Kun Fun 5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole Acta Crystallographica Section E |
| author_facet |
Ebtehal S. Al-Abdullah Ali A. El-Emam Hazem A. Ghabbour Suchada Chantrapromma Hoong-Kun Fun |
| author_sort |
Ebtehal S. Al-Abdullah |
| title |
5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole |
| title_short |
5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole |
| title_full |
5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole |
| title_fullStr |
5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole |
| title_full_unstemmed |
5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole |
| title_sort |
5-(adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4h-1,2,4-triazole |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2012-08-01 |
| description |
In the asymmetric unit of the title adamantyl derivative, C20H25N3S, there are two crystallographic independent molecules with slightly different conformations. In one molecule, the whole benzyl group is disordered over two orientations with the refined site-occupancy ratio of 0.63 (2):0.37 (2). The dihedral angles between the 1,2,4-triazole and phenyl rings are 24.3 (8) (major component) and 25.8 (13)° (minor component) in the disordered molecule, whereas the corresponding angle is 51.53 (16)° in the other molecule. In the crystal, molecules are linked into a chain along the a axis by a weak C—H...N interaction. Weak C—H...π interactions are also observed. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812030784 |
| work_keys_str_mv |
AT ebtehalsalabdullah 5adamantan1yl3benzylsulfanyl4methyl4h124triazole AT aliaelemam 5adamantan1yl3benzylsulfanyl4methyl4h124triazole AT hazemaghabbour 5adamantan1yl3benzylsulfanyl4methyl4h124triazole AT suchadachantrapromma 5adamantan1yl3benzylsulfanyl4methyl4h124triazole AT hoongkunfun 5adamantan1yl3benzylsulfanyl4methyl4h124triazole |
| _version_ |
1724977486924611584 |