Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C₁₇H₂₂N₂S

Abstract

CCDC no.: 1422362The crystal structure is shown in the gure. Tables 1-3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

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

“…As a part of our current research interest in the chemotherapeutic properties of adamantane derivatives [17][18][19] and the molecular structural of adamantyl thiourea analogues [20][21][22], we report herein the synthesis and crystal title structure. The asymmetric unit cell of the title structure contains two independent molecules.…”

Synthesis, Molecular Structure from the X-ray Diffraction Data of the Powder (1E,1'E)-1,1'-(1,4-Phenylene)Bis(N-(Adamantan-1-yl)methanimine)

“…Furthermore, compounds that contain azomethines are reactive intermediates for organic synthesis in different fields and have biological [7,8], anti-viral [9], anti-bacterial [10,11], and anti-fungal [12] effects, as well as inhibiting anti-microbial agents [13]. A search in the CCDC Database survey gave few results containing adamantan-1-ylaminomethylbenzene fragment or 1,4-di(aminomethyl)benzene fragment [14][15][16][17][18][19][20]. Structures similar to the title compound are absent in the database.…”

X-ray and theoretical investigation of (Z)-3-(adamantan-1-yl)-1-(phenyl or 3-chlorophenyl)-S-(4-bromobenzyl)isothioureas: an exploration involving weak non-covalent interactions, chemotherapeutic activities and QM/MM binding energy

“…The adamantyl isothiourea derivatives 1 and 2 were synthesized via condensation of 1-adamantylamine A with phenyl isothiocyanate or 3-chlorophenyl isothiocyanate to yield the corresponding 1-(adamantan-1-yl)-3-arylthiourea derivatives B (Al-Wahaibi et al, 2016) and C (Al-Omary et al, 2017), which were reacted with 4-bromobenzyl bromide in the presence of potassium carbonate to yield the target compounds 1 and 2 (Scheme 1).…”