Spectroscopic investigations, NBO, HOMO–LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential bioactive agent

Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, C17H21ClN2S

“…Moreover, thiourea derivatives were reported to possess marked anticancer [12], anti-HIV [13], antimalarial [14] and antimicrobial [15] activities. As a part of our current research interest in the pharmacological [16][17][18] and structural [19][20][21] properties of adamantane derivatives, we report herein the synthesis and crystal structure of the potentially bioactive title compound. The molecules packing in the crystal structure is stabilized via two intermolecular hydrogen bonds, of which S1 work as hydrogen bond acceptor and the NH groups of N1 and N2 work as hydrogen bond donors.…”

Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S

“…In addition, thiourea derivatives were reported to display marked antitumor [13], anti-HIV [14], antimalarial [15] and antimicrobial [16] activities. As a part of our current research interest in the pharmacological [17][18][19] and structural [20][21][22] properties of adamantane derivatives, we report herein the synthesis and crystal structure of the title compound as bioactive agent and as precursor for adamantanebased chemotherapeutic agents. The asymmetric unit of the title structure contains one independent molecule.…”

Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O

“…On the other hand, adamantane derivatives were early proved to possess marked antiviral [14,15], antimalarial [16], hypoglycemic [17], antitubercular [18] and central nervous [19,20] avtivities. As a part of ongoing research project on chemotherapeutic [21,22] and structural [23,24] properties of adamantane derivatives, …”

“…[19,20] avtivities. As a part of ongoing research project on chemotherapeutic [21,22] and structural [23,24] properties of adamantane derivatives, …”