35CI NQR and Structural Studies of N-(2,6-Dichlorophenyl)-Amides, 2,6-Cl2C6H3-NHCO-R (R = H or CH3-y Xy and X = CH3 or CI; y = 0,1, 2 or 3)

Gowda, B.T.; Paulus, H.; Fueß, H.

doi:10.1515/zna-2000-9-1008

Cited by 29 publications

(29 citation statements)

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“…Importantly, the compounds can exist as either cis or trans isomers, depending on their physical state (liquid or solid; Fig. 2), and have been observed to exist as a mixture of cis and trans isomers in solution (Gowda et al, 2000;Omondi, Lemmerer et al, 2009;Omondi et al, 2005).…”

Section: Introductionmentioning

confidence: 99%

Formation of isostructural solid solutions in 2,6-disubstitutedN-phenylformamides andN-phenylthioamides

Omondi¹,

Lemmerer²,

Fernandes³

et al. 2013

Acta Crystallogr Sect B

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In order to investigate possible isostructural solid solutions of disubstituted N-phenylformamides and thioamides, we have studied the re-crystallization of pairs of compounds selected from 2,6-difluoro-N-phenylformamide (I), 2,6-dichloro-N-phenylformamide (II), 2,6-dimethyl-N-phenylformamide (III), 2,6-dichloro-N-phenylthioamide (IV), 2,6-dimethyl-N-phenylthioamide (V), 2,6-diisopropyl-N-phenylformamide (VI) and 2,6-diisopropyl-N-phenylthioamide (VII). For single-component 2,6-disubstituted-N-phenylformamides only the trans form occurs in the pure crystal, while for thioamides the cis form occurs, with only one exception. By forming solid solutions of pairs of these molecules the resulting structures all adopt similar N-H...O/S chains in the crystals. Solid solutions (1), (2) and (3), resulting from the mixing of (I) and (II), (II) and (III), and (IV) and (V), respectively, are all isostructural with each other (space group Pbca). Only co-crystal (1) is isostructural to both starting materials, while (2) is isostructural to only one of the starting pair, (II). Solid solution (3), which adopts the same Pbca structure as (1) and (2), is different to the monoclinic structures of both the reactants. Solid solution (4) is monoclinic, with similar hydrogen-bonded chains, and isostructural to the two components, resulting from the composition from the mixing of (VI) and (VII). Isostructural indices were used to quantify crystal-packing similarities and differences. Occupancy factors of the reactants in each co-crystal differ widely.

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Section: Introductionmentioning

confidence: 99%

Formation of isostructural solid solutions in 2,6-disubstitutedN-phenylformamides andN-phenylthioamides

Omondi¹,

Lemmerer²,

Fernandes³

et al. 2013

Acta Crystallogr Sect B

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“…The amide and sulfonamide moieties are important constituents of many biologically significant compounds. As part of an investigation studying the effect of substituents on the structures of this class of compounds (Gowda et al, 2000(Gowda et al, , 2005Rodrigues et al, 2011), in the present work, the structure of N,N-bis(2-chlorophenylsulfonyl)-suberamide (I) has been determined (Fig. 1).…”

Section: S1 Commentmentioning

confidence: 86%

“…For the study of the effect of substituents on the structures of N-(aryl)-amides, see: Gowda et al (2000). For the effect of substituents in N-(aryl)-arylsulfonamides, see: Gowda et al (2005).…”

Section: Related Literaturementioning

confidence: 99%

N,N′-Bis(2-chlorophenylsulfonyl)suberamide

2011

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In the crystal of the title compound, C20H22Cl2N2O6S2, the asymmetric unit comprises half of a molecule, the remaining portion is generated via an inversion centre. The conformation of the N—H and C=O bonds in the SO2–NH–C(O)–C segment is anti. The molecule is bent at the S atom with the C–SO2–NH–C(O) torsion angle being 68.16 (19)°. The dihedral angle between the plane of the benzene ring and the SO2–NH–C(O)–C segment is 77.5 (1)°. Hydrogen bonds of the type N—H⋯O(C) link molecules into supramolecular chains along the b axis.

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“…The amide and sulfonamide moieties are important constituents of many biologically significant compounds. As a part of studying the effect of substituents on the structures of this class of compounds (Gowda et al, 2000(Gowda et al, , 2007(Gowda et al, , 2010Suchetan et al, 2011), the structure of 2-chloro-N-(4-nitrobenzoyl)-benzenesulfonamide (I) has been determined (Fig. 1).…”

Section: S1 Commentmentioning

confidence: 99%