629 research outputs found
2-Chloro-N-(2,3-dichlorophenyl)acetamide
The conformation of the N—H bond in the title compound (23DCPCA), C8H6Cl3NO, is syn to both the 2- and 3-chloro substituents in the aromatic ring, similar to the 2-chloro substituent in 2-chloro-N-(2-chlorophenyl)acetamide (2CPCA), the 2- and 3-chloro substituents in N-(2,3-dichlorophenyl)acetamide (23DCPA) and in 2,2-dichloro-N-(2,3-dichlorophenyl)acetamide (23DCPDCA). The bond parameters in 23DCPCA are similar to those in 2-chloro-N-(phenyl)acetamide, 2CPCA, 23DCPA, 23DCPDCA and other acetanilides. The molecules in 23DCPCA are linked into chains through N—H⋯O hydrogen bonding
Crystal Structures and Phase Transitions of 3-Chloro-2,2-bis(chloromethyl)propionic Acid-1 and 1,3-Dichloro-2,2-dimethylpropane
The crystal structure of 3-chloro-2,2-bis(chloromethyl)propionic acid-1 was determined from single crystal data. The compound crystallizes in the acentric monoclinic space group P21. Lattice constants at T = 304 K are a = 6.961(1) Å, b = 9.979(2) Å, c = 12.0569(3) Å, b = 94.01(2)°. Structure refinement on 1736 independent reflections yielded R = 0.041. Two molecules are interconnected by hydrogen bridges to form dimers. Thermal analysis and temperature dependent X-ray and IR-measurements gave no indication of a phase transition in the range 150 K < T < 384 K. An order-disorder phase transition was detected for 1,3-dichloro-2,2-dimethylpropane at TI→II = 194.3 K, with a plastic cubic phase in the range 194.3 K < T < 259.1 K. The lattice constant in space group Fm3m is a = 9.24 Å at 220 K with a thermal expansion coefficient a(200 K) = 2.6769 x 10–4 K–1. The entropy at the melting point Tm = 259.1 K and at the solid-solid phase transition TI→II = 194.3 K is rather low giving strong evidence of a plastic phase. Powder X-ray diffraction pattern in the ordered phase at T = 160 K gave indication of monoclinic symmetry with a = 12.27 Å, b = 10.86 Å, c = 10.68 Å, b = 111.8°. Temperature dependent infrared measurements revealed the conformation of the molecule
2-Chlorobenzenesulfonamide
In the crystal of the title compound, C6H6ClNO2S, N—H⋯O hydrogen bonds pack the molecules into sheets parallel to the ac plane
o-Toluenesulfonamide: a redetermination
The structure of the title compound, C7H9NO2S, was previously determined from powder diffraction data [Tremayne, Seaton & Glidewell (2002). Acta Cryst. B58, 823–834]. It has now been refined to a significantly higher precision. The amino N-atom is bent with a C—C—S—N torsion angle of −65.8 (2)deg;. In the crystal, molecules are packed into a three-dimensional framework/supramolecular structure through hydrogen bonds between the two H atoms of the sulfonamide group and sulfonyl O atoms of neighbouring molecules
N-Benzoylbenzenesulfonamide
In the crystal structure of the title compound, C13H11NO3S, the conformation of the N—H bond in the C—SO2—NH—C(O)—C segment is anti to the C=O bond. The molecule is twisted at theN atom with a dihedral angle of 86.5(1)° between the sulfonyl benzene ring and the —SO2—NH—C=O segment. Furthermore, the dihedral angle between the two benzene rings is 80.3(1)°. The crystal structure features inversion-related dimers linked by pairs of N—H⋯O(S) hydrogen bonds
N-(3,5-Dichlorophenyl)-2,4-dimethylbenzenesulfonamide
In the crystal structure of the title compound, C14H13Cl2NO2S, the conformation of the N—C bond in the C—SO2—NH—C segment has gauche torsions with respect to the S=O bonds. The molecule is bent at the N atom, with an C—SO2—NH—C torsion angle of −54.9 (3)°. The two benzene rings are tilted relative to each other by 82.3 (2)°. The molecules are linked into centrosymmetric R
2
2(8) motifs by N—H⋯O hydrogen bonds and C—H⋯π interactions along [100]
2,2-Dimethyl-N-(phenylsulfonyl)acetamide
In the title compound, C10H13NO3S, the N—H and C=O bonds in the SO2—NH—CO—C segment are anti to each other. The benzene ring and the SO2—NH—CO—C segment form a dihedral angle of 87.4 (1)°. The crystal packing features inversion-related dimers linked by pairs of N—H⋯O hydrogen bonds
2,2,2-Tribromo-N-(3-chlorophenyl)acetamide
In the title compound, C8H5Br3ClNO, the conformation of the N—H bond is anti to the 3-chloro substituent in the benzene ring. An intramolecular N—H⋯Br hydrogen bond occurs. In the crystal, molecules are packed into infinite chains in the a-axis direction by N—H⋯O hydrogen bonds
N-(3,5-Dichlorophenyl)-4-methylbenzenesulfonamide
In the crystal structure of the title compound, C13H11Cl2NO2S, the conformation of the N—C bond in the C—SO2—NH—C segment is gauche with respect to the SO bonds. The two benzene rings are tilted by 79.6 (1)° relative to each other. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds occur
4-Chloro-N-(3-chlorophenyl)-2-methylbenzenesulfonamide
In the title compound, C13H11Cl2NO2S, the conformation of the N—H bond in the C—SO2—NH—C segment is anti to the meta-Cl atom on the aniline ring and syn to the ortho-methyl group on the sulfonylbenzene ring. Furthermore, the torsion angle of the C—SO2—NH—C segment in the molecule is 80.1 (3)°. The two benzene rings are tilted relative to each other by 70.9 (1)°. In the crystal, pairs of intermolecular N—H⋯O hydrogen bonds link the molecules via inversion-related dimers into infinite column-like chains
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