3,4,4-Trichloro-2-nitro-1-propylsulfanyl-1-(4-thiomorpholinyl)buta-1,3-diene

Abstract

Key indicatorsSingle-crystal X-ray study T = 294 K Mean (C-C) = 0.008 Å R factor = 0.075 wR factor = 0.134 Data-to-parameter ratio = 15.5For details of how these key indicators were automatically derived from the article, see

3,4,4-Trichloro-1-[4-(diphenylmethyl)piperazin-1-yl]-2-nitro-1-(propylsulfanyl)buta-1,3-diene

“…The C18-C19-C20-C21 torsion angle is À56.0 (11) . The C-C bond lengths of the butadiene unit are similar to those in similar compounds (Verenich et al, 1992;Surange et al, 1997;Ibis & Deniz, 2006;Ibis et al, 2006a,b). Experimental 1,3,4,4-Tetrachloro-2-nitro-1-(propylsulfanyl)-1,3-butadiene (0.6 g, 1.9 mmol) and 1-(diphenylmethyl)piperazine (0.48 g, 1.9 mmol) were stirred in dichloromethane (25 ml) until completion of the reaction.…”

Crystal Structure of 1-(4-Fluorophenyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)buta-1,3-dien-1-yl]piperazine

“…The C1-C2 double bond lengths within the butadiene unit are similar to those in related compounds. 3,4 C2-C3 bond length of 1.458(2)Å is shorter than usual single C-C single bonds, while the C3-C4 double bond length of 1.410(2)Å is rather longer than these of double bonds. In the piperazine ring, the bond lengths and angles conform to those found previously.…”

Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-[(1Z,3E)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate

“…A search of the Cambridge Structural Database (CSD, version 5.43, update June 2022; Groom et al, 2016) for the buta-1,3diene unit gave ten similar structures, viz. CSD refcode SESRUE (Ibis & Deniz, 2006), JEYVAL (Ibis & Deniz, 2007a), SINDOJ (Ibis & Deniz, 2007b), WIHFAV (Ibis & Deniz, 2007c), CICMIL (Sathiyanarayanan et al, 2007), GISDOC (Sathiyanarayanan et al, 2008a), GIRQEE (Sathiyanarayanan et al, 2008b), IGANUA (Bats et al, 2008), KABKAB (Narayan et al, 2010) and IDOTOM (Okuno & Iwahashi, 2013).…”