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The triazole derivative 2 was prepared from 4-[2'-isopropyl-5'-methylphenoxyacyl]thiosemicarbazide 1 by heating under reflux with aqueous NaOH [1,2].[...]
In each of the two independent indene-4-spiro-pentane mol-ecules in the asymmetric unit of the title 2:1 adduct, C(19)H(18)N(6)·0.5C(5)H(4)OS, the cyclo-hexene ring adopts a half-chair conformation and the cyclo-pentene and cyclo-pentane rings adopt envelope conformations. The mean plane through the cyclo-hexene/cyclo-pentene fused system is aligned at a dihedral angle of 77.9 (1)° with respect to the mean plane through the cyclo-pentane ring in one mol-ecule and 87.0 (1)° in the other. In the crystal, adjacent indene-4-spiro-pentane mol-ecules are linked by N-H⋯N hydrogen bonds into a three-dimensional network. The spaces within the network are occupied by the thio-phene-2-carbaldehyde mol-ecules. The thio-phene-2-carbaldehyde unit is disordered over two positions of equal occupancy. The crystal studied was found to be a non-morohedral twin with two minor twin components of 18.4 and 9.7%.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.