13 research outputs found
N-(p-Tolylsulfonyl)-l-asparagine
In the title compound, C11H14N2O5S, the amide O atom acts as a hydrogen-bond acceptor from a carboxylate O atom and a secondary amino N atom. In addition, one of the sulfonyl O atoms and the carbonyl O atom of the carboxyl group also form hydrogen bonds with the primary amido N atom. These intermolecular hydrogen-bonding interactions give rise to a layer structure, with the layers parallel to the ac plane
2-[(E)-3-Phenylprop-2-enyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
In the crystal structure of the title compound, C16H13NO3S, the benzisothiazole group is almost planar (r.m.s. deviation for all non-H atoms excluding the two O atoms bonded to S = 0.009 Å). The dihedral angle between the fused ring and the terminal ring is 13.8 (1)°. In the crystal, molecules are linked through intermolecular C—H⋯O contacts forming a chain of molecules along b
N-(Phenylsulfonyl)-l-asparagine
In the title compound, C10H12N2O5S, one of the sulfonyl O atoms is hydrogen bonded to the amido N atom of an adjacent molecule. There is also a weak hydrogen-bonding interaction between the other sulfonyl O atom and the secondary amino N atom. In addition, the amido O atom is also hydrogen bonded to a carboxyl O atom. These hydrogen-bonding interactions give rise to a layer structure parallel to the bc plane
2-(Prop-2-enyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
In the title compound, C10H9NO3S, the benzisothiazole group is almost planar (with a maximum deviation of 1.61 Å). The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds, forming a chain of molecules along b
2-(3-Methylbut-2-en-1-yl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
In the title compound, C12H13NO3S, a saccharin derivative, the dihedral angle between the aromatic and isothiazole rings is 2.91 (12)°. The planar 3,3-dimethylallyl group [maximum deviation = 0.0086 (16) Å] is oriented at dihedral angles of 71.86 (7) and 74.35 (7)° with respect to the aromatic and isothiazole rings, respectively. In the crystal structure, weak intermolecular C—H⋯O interactions link the molecules into chains along the c axis. A weak C—H⋯π interaction is also present
(2S)-3-Carbamoyl-2-(4-methoxybenzenesulfonamido)propanoic acid
In the title compound, C11H14N2O6S, an amino acid-derived sulfonamide, the acetamido group and the carboxylic group are oriented at dihedral angles of 45.84 (5)° and 47.97 (5)° respectively, with respect to the aromatic ring. In the crystal, the molecules are connected by N—H⋯O and O—H⋯O hydrogen bonds and weak C—H⋯O interactions, forming a three-dimensional network
(2S)-3-(1H-Indol-3-yl)-2-(4-methylbenzenesulfonamido)propionic acid monohydrate
In the title compound, C18H18N2O4S·H2O, the indole and toluene ring systems are oriented at a dihedral angle of 84.51 (9)°. In the crystal, the components are linked by N—H⋯O, O—H⋯O, C—H⋯O and N—H⋯π interactions. These include a short link from the α-C atom of the amino acid fragment
3-(1H-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid including an unknown solvate
In the title compound, C17H15N3O6S, which crystallized with highly disordered methanol and/or water solvent molecules, the dihedral angle between the the indole and benzene ring systems is 5.3 (2)°, which allows for the formation of intramolecular π–π stacking interactions [centroid–centroid separations = 3.641 (3) and 3.694 (3) Å] and an approximate overall U-shape for the molecule. In the crystal, dimers linked by pairs of Ns—H...Oc (s = sulfonamide and c = carboxylate) hydrogen bonds generate R22(10) loops, whereas Ni—H...π (i = indole) interactions lead to chains propagating in [100] or [010]. Together, these lead to a three-dimensional network in which the solvent voids are present as intersecting (two-dimensional) systems of [100] and [010] channels. The title compound was found to contain a heavily disordered solvent molecule, which could be methanol or water or a mixture of the two. Due to its uncertain nature and the unresolvable disorder, the data were processed with the SQUEEZE option in PLATON [Spek (2009). Acta Cryst. D65, 148–155], which revealed 877.8 Å3 of solvent-accessible volume per unit cell and 126 electron-units of scattering density or 109.7 Å3 (16 electron units) per organic molecule.. This was not included in the calculations of overall formula weight, density and absorption coefficient
2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid
In the title compound, C19H17NO4S, the phenyl ring and the naphthalene ring system are oriented at a dihedral angle of 4.12 (2)° and the molecule adopts a U-shaped conformation. The Cc—C—N—S (c = carboxy) torsion angle is 90.98 (15)°. In the crystal, molecules are linked by O—H...O and N—H...O hydrogen bonds, resulting in (100) chains incorporating centrosymmetric R22(14) and R22(10) loops. Weak aromatic π–π stacking is also observed [centroid–centroid separations = 3.963 (2) and 3.932 (2) Å]