1,187 research outputs found
(4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: R22(X) rings (X is 10, 18 or 24) and C-H...p interactions
Peer reviewedPublisher PD
1-[2-(Carboxymethoxy)phenyl]-N-(4-chlorophenyl)methanimine oxide
Peer reviewedPublisher PD
Glyoxal 4-nitrophenylhydrazone : triple helices linked into a three-dimensional channel structure
Peer reviewedPublisher PD
4,5-bis(benzoylsulfanyl)-1,3-dithiol-2-one
Peer reviewedPublisher PD
Hydrogen bonding in C-methylated nitroanilines : the three-dimensional framework structure of 2-methyl-4-nitroaniline
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2-Amino-3-chloro-5-nitrobenzamide
The amide group in the title compound, C7H6ClN3O3, is significantly twisted out of the plane of the benzene ring [C—C—C—O = 34.2 (5)°] whereas the nitro group is almost co-planar [O—N—C—C = 4.0 (5)°] with the ring. Intramolecular N—H⋯O and N—H⋯Cl hydrogen bonds occur. In the crystal, the molecules are linked by N—H⋯O hydrogen bonds, generating layers propagating in the ab plane
A kryptoracemic salt: 2-{[2,8-bis(trifluoromethyl)quinolin-4yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
The asymmetric unit of the title salt, C17H17F6N2O+·C10H8F3O3-, comprises two piperidin-1-ium cations and two carboxylate anions. The cations, each having an L-shaped conformation owing to the near orthogonal relationship between the quinolinyl and piperidin-1-ium residues, are pseudo-enantiomeric. The anions have the same absolute configuration but differ in the relative orientations of the carboxylate, methoxy and benzene groups. Arguably, the most prominent difference between the anions occurs about the Cq-Om bond as seen in the Cc-Cq-Om-Cm torsion angles of -176.1 (3) and -67.1 (4)°, respectively (q = quaternary, m = methoxy and c = carboxylate). The presence of Oh-H...Oc and Np-H...Oc hydrogen bonds leads to the formation of a supramolecular chain along the a axis (h = hydroxy and p = piperidin-1-ium); weak intramolecular Np-H...Oh hydrogen bonds are also noted. Chains are connected into a three-dimensional architecture by C-H...F interactions. Based on a literature survey, related molecules/cations adopt a uniform conformation in the solid state based on the letter L
A triclinic polymorph of benzanilide : disordered molecules form hydrogen-bonded chains
Peer reviewedPublisher PD
1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-5-yl 4-nitrobenzenesulfonate
In the title molecule, C22H17N3O5S, the pyrazole ring is planar (r.m.s. deviation = 0.018 Å) and forms dihedral angles of 21.45 (10) and 6.96 (10)° with the N- and C-bound benzene rings, respectively. Supramolecular layers in the bc plane are formed in the crystal via C—H⋯O and π–π interactions involving the sulfonamide benzene ring interacting with the N- and C-bound benzene rings [centroid–centroid distances = 3.790 (2) and 3.730 (2) Å, respectively]. The crystal studied was found to be a merohedral twin (twin law 1 0 0.678, 0 -1 0, 0 0 -1), the fractional contribution of the minor component being approximately 36%
Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl) : compounds with moderate aspartyl protease inhibition activity
We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collections.Peer reviewedPublisher PD
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