The crystal structure of an anthracene sulfur mustard, 9-{[(2-chloroethyl)thio]methyl}anthracene

Abstract

The aromatic alkylating agent, 9-{[(2-chloroethyl)thio]methyl}anthracene, C17H1sClS, with antitumor properties, crystallizes in the orthorhombic space group Pcab with Z= 8, a = 16"569 (10), b = 22.923 (18), c=7.688 (5) A, V=2920"0 (9)/13, D~,--1.26 and D,,= 1-25 g cm -3. The structural formula is:CH2-S-CH2-CH2-C|

Conformational studies of oligomethylene glycol derivatives and related compounds. VIII. The crystal and molecular structure of diphenyl succinate, C16H14O4

“…1.508 (13) H2NOC-CH2-CH2-CONH 2 Lewis, Carrell, Glusker & Sparks (1976) * Torsion angles: T ~ 180 °, G ~ +_60 °, C -0 °. 5" Not used in the average.…”

Crystal structures of 9-[bis(benzylsulfanyl)methyl]anthracene and of cyclo-dodecakis(μ2-phenylmethanethiolato-κ2 S:S)hexapalladium(6 Pd—Pd)–anthracene-9,10-dione (1/1)

“…A search of the Cambridge Structural Database (Groom et al, 2016) for related anthracene-substituted dithioacetals did not reveal any structure hits. However, there are several examples of monothioethers attached on an anthracenyl scaffold and include {9-[(2-chloroethyl)thio]methyl}anthracene (CETMAN; Lewis et al, 1976), 1,6-bis(9-anthryl)-2,5-dithiahexane (LEYHIH; Schwarze et al, 2007) and S-(9-anthryl)methyl-3,5-dinitrothiobenzoate (VEZLUI; Fowelin et al, 2007). A search for the bis(benzylthio)methane motif HC(SCH 2 Ph) 2 revealed only three similar structures, namely 2,6,10, 14,19,24-hexa-p-benz-4,8,12,16,17,21,22,26-octathiatricyclo(9.5.5.5 3,9 )hexacosaphane benzene clathrate (CUHLUM; Takemura et al, 1984), 4-nitrophenyl-[bis(benzylthio)]methane (SUNMAQ; Binkowska et al, 2009) and 2 (Thomas et al, 2001), as fluorescence materials (Chen et al, 2017) and as electrocatalysts for H and O evolution reactions (Gao & Chen, 2017).…”