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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2015
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| Subjects: | |
| Online Access: | http://eprints.usm.my/38582/ http://eprints.usm.my/38582/1/Crystal_structure_of_3-%28adamantan-1-yl%29-.pdf |
| Summary: | 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. |
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