41 research outputs found
Methyl 2-amino-5-bromobenzoate
In the title compound, C8H8BrNO2, the dihedral angle between the aromatic ring and the methyl acetate side chain is 5.73 (12)°. The molecular conformation is stabilized by an intramolecular N—H⋯O hydrogen bond, generating an S(6) ring. In the crystal, molecules are connected by N—H⋯O interactions, generating zigzag chains running along the b-axis direction
2-Ethyl-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
In the title molecule, C9H9NO3S, the bond lengths and angles fall within normal ranges. All nine ring atoms almost lie in a common plane (r.m.s. deviation 0.021 Å). In the crystal, symmetry-related molecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional network
4-Amino-2-chlorobenzoic acid
The title compound, C7H6ClNO2, crystallizes with two roughly planar molecules in the asymmetric unit (r.m.s. deviations = 0.073 and 0.074 Å). The amine H atoms of the two molecules have opposite orientations. In the crystal, molecules are linked into dimers by pairs of O—H⋯O hydrogen bonds, generating R
2
2(8) loops. N—H⋯N and N—H⋯Cl hydrogen bonds link the dimers into a three-dimensional network. The crystal studied was found to be a racemic twin
2-(4-Chlorobenzamido)acetic acid
In the crystal structure of the title molecule, C9H8ClNO3, adjacent molecules are arranged into centrosymmetric dimers through pairs of intermolecular O—H⋯O interactions. Intermolecular N—H⋯O hydrogen bonds link the dimers into a layer parallel to the bc plane. In the layer, molecules are packed in a face-to-face π-stacked arrangment, showing π–π stacking interactions between the benzene rings with a centroid–centroid distance of 3.6884 (8) Å
4-Chloro-N-cyclohexylbenzenesulfonamide
The title compound, C12H16ClNO2S, adopts an L-shaped conformation, with the central C—S—N—C torsion angle being −78.0 (2)°. The cyclohexyl ring adopts a chair conformation. In the crystal, adjacent molecules are connected by pairs of N—H⋯O hydrogen bonds around an inversion centre, forming cyclic dimers [graph set R
2
2(8)]
3-(Propan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
In the title compound, C10H11NO3S, the benzisothiazole ring system is almost planar [maximum deviation = 0.030 (1) Å for the S atom]. The isopropoxy group is almost in the plane of the benzisothiazole ring system [N—C—O—C = 4.5 (2)°] with one of its methyl groups in an antiperiplanar orientation relative to the benzisothiazole ring system [C—C—O—C = −162.0 (2)°]
2-(Methoxycarbonyl)anilinium dihydrogen phosphate
The title compound, C8H10NO2
+·H2PO4
−, is a derivative of the naturally occurring compound methylanthranilate. The asymmetric unit comprises the 2-(methoxycarbonyl)anilinium cation and the dihydrogen phosphate anion. In the cation, the dihedral angle between the benzene ring plane and that through the methyl ester substituent is 22.94 (9)°. In the crystal, adjacent cations and anions form dimers through N—H⋯O and O—H⋯O hydrogen bonds, respectively. Additional N—H⋯O and C—H⋯O contacts result in a network of cation and anion dimers stacked down the b axis
Methyl 5-bromo-2-[methyl(methylsulfonyl)amino]benzoate
The title compound, C10H12BrNO4S, is an intermediate in the synthesis of benzothiazine. The planar methyl ester group (maximum deviation is 0.0065 Å) is oriented at a dihedral angle of 39.09 (13)° with respect to the aromatic ring. In the crystal structure, weak intermolecular C—H⋯O interactions link the molecules into centrosymmetric dimers, through R
2
2(10) ring motifs
N-Cyclohexyl-4-methoxybenzenesulfonamide
In the title molecule, C13H19NO3S, the S atom has a distorted tetrahedral geometry with an O—S—O bond angle of 120.39 (18)°. The cyclohexane ring has a chair conformation. In the crystal, molecules are connected by intermolecular N—H⋯O hydrogen bonds, forming zigzag hydrogen-bonded chains directed along the c axis