Structure of a cyclohexanone derivative

c-5-Hydroxy-r-2,c-4-bis(isopropoxycarbonyl)-t-5-methyl-t-3-phenylcyclohexanone

“…The mean value [55.4 (6) ] of the endocyclic torsion angles of the cyclohexanone ring in (I) shows that it is slightly more puckered than the idealized cyclohexanone ring [54.1 (3) , MM2 calculation; Allinger, 1977). The values of the puckering parameters (Cremer & Pople, 1975) of the cyclohexanone ring [Q = 0.567 (2) Å , = 177.34 14and ' = 62 (3) ] compare well with the values reported by Ravikumar & Mehdi (1993).…”

“…1), the cyclohexanone ring adopts a chair conformation. A similar conformation was observed in related structures (Mootz & Berking, 1969;Groth, 1972;Bocelli, 1981;Spek et al, 1990;Ravikumar & Mehdi, 1993). The mean value [55.4 (6) ] of the endocyclic torsion angles of the cyclohexanone ring in (I) shows that it is slightly more puckered than the idealized cyclohexanone ring [54.1 (3) , MM2 calculation; Allinger, 1977).…”

“…A comparison of the conformation of (I) with those in the related compounds 4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone, (II) (Herná ndez-Ortega et al, 2001), 4ethoxycarbonyl-3-ethoxypropanoyl-3-phenylcyclohexanone, (III) (Brunner & Maas, 1995), (4-cyano-4-tert-butoxycarbonyl-3,5-diphenylcyclohexanone, (IV) (Rowland et al, 1998), and 5hydroxy-5-methyl-2,4-bis(methylcarbonyl)-3-(3-nitrophenyl)cyclohexanone, (V) (Ravikumar & Mehdi, 1993), shows the following features. In (I), the two isopropoxycarbonyl groups at C2 and C4 are substituted in -equatorial positions ( Table 1).…”

Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate

“…A search of the Cambridge Structural Database (CSD, Version 5.43, last update November 2022; Groom et al, 2016) for the central six-membered cyclohexene ring yielded eight compounds related to the title compound, viz. CSD refcodes UPOMOE (Naghiyev et al, 2021a), ZOMDUD (Gein et al, 2019), PEWJUZ (Fatahpour et al, 2018), OZUKAX (Tkachenko et al, 2014), IFUDOD (Gein et al, 2007), IWEVOV (Mohan et al, 2003), IWEVUB (Mohan et al, 2003) and HALROB (Ravikumar & Mehdi, 1993).…”

Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate

“…A search of the Cambridge Structural database (CSD, version 5.42, update November 2020;Groom et al, 2016) for the 4-hydroxy-5-methyl-2-oxocyclohexane-1-carboxamide moiety revealed seven hits, of which the structures most similar to the that of the title compound are 4-hydroxy-4,N,N 0 -trimethyl-2-(3-nitrophenyl)-6-oxo-1,3-cyclohexanedicarbox-amide (HALROB; Ravikumar & Mehdi, 1993), 4-hydroxy-N,N,N 0 ,N 0 ,4-pentamethyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxamide (IFUDOD; Gein et al, 2007), 5-hydroxy-5methyl-3-phenyl-2,4-bis(N-methylcarbamoyl)cyclohexanone (IWEVOV; Mohan et al, 2003), 5-hydroxy-5-methyl-3-(o-tolyl)-2,4-bis(N-methylcarbamoyl)cyclohexanone (IWEVUB; Mohan et al, 2003) Gein et al, 2019).…”