Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione
The title compound, C18H20ClN3S, is a functionalized triazoline- 3-thione derivative. The benzene ring is almost perpendicular to the planar 1,2,4-triazole ring [maximum deviation = 0.007 (1) A ° ] with a dihedral angle of 89.61 (5)� between them and there is an adamantane substituent at the 3-p...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | en |
| Published: |
International Union of Crystallography
2015
|
| Subjects: | |
| Online Access: | http://eprints.usm.my/38582/1/Crystal_structure_of_3-%28adamantan-1-yl%29-.pdf http://eprints.usm.my/38582/ https://doi.org/10.1107/S2056989015000596 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1834501541054119936 |
|---|---|
| author | Al-Wabli, Reem I. El-Emam, Ali A. Alroqi, Obaid S. C. S., Chidan Kumar Fun, Hoong Kun |
| author_facet | Al-Wabli, Reem I. El-Emam, Ali A. Alroqi, Obaid S. C. S., Chidan Kumar Fun, Hoong Kun |
| author_sort | Al-Wabli, Reem I. |
| building | Hamzah Sendut Library |
| collection | Institutional Repository |
| content_provider | Universiti Sains Malaysia |
| content_source | USM Institutional Repository |
| continent | Asia |
| country | Malaysia |
| description | The title compound, C18H20ClN3S, is a functionalized triazoline-
3-thione derivative. The benzene ring is almost perpendicular
to the planar 1,2,4-triazole ring [maximum deviation =
0.007 (1) A ° ] with a dihedral angle of 89.61 (5)� between them
and there is an adamantane substituent at the 3-position of the
triazolethione ring. In the crystal, N—H� � �S hydrogenbonding
interactions link the molecules into chains extending
along the c-axis direction. The crystal packing is further
stabilized by weak C—H� � �� interactions that link adjacent
chains into a two-dimensional structure in the bc plane. The
crystal studied was an inversion twin with a 0.50 (3):0.50 (3)
domain ratio. |
| format | Article |
| id | my.usm.eprints.38582 |
| institution | Universiti Sains Malaysia |
| language | en |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | eprints |
| spelling | my.usm.eprints.38582 http://eprints.usm.my/38582/ Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione Al-Wabli, Reem I. El-Emam, Ali A. Alroqi, Obaid S. C. S., Chidan Kumar Fun, Hoong Kun QC1-999 Physics The title compound, C18H20ClN3S, is a functionalized triazoline- 3-thione derivative. The benzene ring is almost perpendicular to the planar 1,2,4-triazole ring [maximum deviation = 0.007 (1) A ° ] with a dihedral angle of 89.61 (5)� between them and there is an adamantane substituent at the 3-position of the triazolethione ring. In the crystal, N—H� � �S hydrogenbonding interactions link the molecules into chains extending along the c-axis direction. The crystal packing is further stabilized by weak C—H� � �� interactions that link adjacent chains into a two-dimensional structure in the bc plane. The crystal studied was an inversion twin with a 0.50 (3):0.50 (3) domain ratio. International Union of Crystallography 2015 Article PeerReviewed application/pdf en http://eprints.usm.my/38582/1/Crystal_structure_of_3-%28adamantan-1-yl%29-.pdf Al-Wabli, Reem I. and El-Emam, Ali A. and Alroqi, Obaid S. and C. S., Chidan Kumar and Fun, Hoong Kun (2015) Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, 71. 0115-0116. ISSN 2056-9890 https://doi.org/10.1107/S2056989015000596 |
| spellingShingle | QC1-999 Physics Al-Wabli, Reem I. El-Emam, Ali A. Alroqi, Obaid S. C. S., Chidan Kumar Fun, Hoong Kun Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione |
| title | Crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1H-1,2,4-triazole-
5(4H)-thione |
| title_full | Crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1H-1,2,4-triazole-
5(4H)-thione |
| title_fullStr | Crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1H-1,2,4-triazole-
5(4H)-thione |
| title_full_unstemmed | Crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1H-1,2,4-triazole-
5(4H)-thione |
| title_short | Crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1H-1,2,4-triazole-
5(4H)-thione |
| title_sort | crystal structure of 3-(adamantan-1-yl)-
4-(4-chlorophenyl)-1h-1,2,4-triazole-
5(4h)-thione |
| topic | QC1-999 Physics |
| url | http://eprints.usm.my/38582/1/Crystal_structure_of_3-%28adamantan-1-yl%29-.pdf http://eprints.usm.my/38582/ https://doi.org/10.1107/S2056989015000596 |
| url_provider | http://eprints.usm.my/ |