Crystal structure of (E)-N-{2-[2-(4-methylbenzylidene)hydrazin-l-yl]-2-oxoethy1}-p-toluene- sulfonamide

The title acyl­hydrazone derivative, C17H19N3O3S, containing an amino acid moiety and electron-donating substituents attached to both the phenyl rings, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The mol­ecules are bent at the S atom, with C-SO2-NH-CH2 torsion angles of -67.3 (2) and 67.7 (3)° in mol­ecules A and B, respectively. Further, the dihedral angles between the sulfonyl­glycine segments and the p-toluene­sulfonyl rings are 76.1 (1) and 85.8 (1)° in mol­ecules A and B, respectively. The central hydrazone segments and the toluene rings attached to them are almost co-planar with their mean planes being inclined to one another by 5.2 (2) (mol­ecule A) and 2.9 (2)° (mol­ecule B). The dihedral angles between the benzene rings are 86.83 (12) (mol­ecule A) and 74.00 (14)° (mol­ecule B). In the crystal, the A mol­ecules are linked by a pair of N-H...O hydrogen bonds, forming inversion dimers with an R22(8) ring motif. The dimers are linked via three N-H...O hydrogen bonds involving the B mol­ecules, forming chains along [100] and enclosing R22(12) and R44(16) ring motifs. The chains are linked via C-H...O hydrogen bonds and a C-H...[pi] inter­action, forming sheets parallel to (010). There is a further C-H...[pi] inter­action and a slipped parallel [pi]-[pi] inter­action [inter-centroid distance = 3.8773 (16) Å] between the sheets, leading to the formation of a three-dimensional framework

Crystal structure of (E)-N-{2-[2-(3-chlorobenzyl-idene) hydrazinyl]-2-oxoethyl}-4-methylbenzene-sulfonamide monohydrate

The mol­ecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S-N-C-C torsion angle is 132.0 (3)°. The central part of the mol­ecule, C-C-N-N=C, is almost linear, with the C-C-N-N and C-N-N=C torsion angles being -174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between the p-toluene­sulfonyl ring and the S-N-C-C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O-H...O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C-H...O contacts present within the sheets

N-(4-Methyl­phenyl­sulfon­yl)succinamic acid

In the crystal structure of the title compound, C11H13NO5S, the amide C=O and the carboxyl C=O groups of the acid segment orient themselves away from each other. The dihedral angle between the benzene ring and the amide group is 69.0 (2)°. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the bc plane

Crystal structure of(E)N{2[2(3chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate

The molecule of the title compound, C16H16ClN3O3SH2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3). The central part of the molecule, C—C—N—N C, is almost linear, with the C—C—N—N and C—N—N C torsion angles being �174.1 (2) and 176.0 (2), respectively. The dihedral angle between the p-toluenesulfonyl ring and the S—N—C—C( O) segment is 67.5 (4), while that between the two aromatic rings is 52.17 (11). In the crystal, the water H atom is involved in O—HO hydrogen bonds with asulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—HO contacts present within the sheets. 1. Chemi

Crystal structures of three ortho-substituted N-acylhydrazone derivatives

To explore the effect of the nature of substitutions on the structural parameters and hydrogen-bond inter­actions in N-acyl­hydrazone derivatives, the crystal structures of three ortho-substituted N-acyl­hydrazone derivatives, namely (E)-N-{2-[2-(2-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfon­amide, C16H16ClN3O3S (I), (E)-N-{2-[2-(2-methyl­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide, C17H19N3O3S (II), and (E)-N-{2-[2-(2-nitro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide, C16H16N4O5S (III), have been determined. The structures of the three compounds display similar mol­ecular conformations and hydrogen-bond patterns. The hydrazone part of the mol­ecule, C—C—N—N=C, is almost planar in all the compounds, with the C—C—N—N and C—N—N=C torsion angles being 179.5 (3) and 177.1 (3)°, respectively, in (I), −179.4 (2) and −177.1 (3)° in (II) and −179.7 (2) and 173.4 (2)° in (III). The two phenyl rings on either side of the chain are approximately parallel to each other. In the crystal, the mol­ecules are linked to each other via N—H...O hydrogen bonds, forming ribbons with R22(8) and R22(10) ring motifs. The introduction of electron-withdrawing groups (by a chloro or nitro group) to produce compounds (I) or (III) results in C—H...O hydrogen-bonding inter­actions involving the sulfonyl O atoms of adjacent ribbons, forming layers parallel to the ab plane in (I) or a three-dimensional network in (III). In (III), one O atom of the nitro group is disordered over two orientations with refined occupancy ratio of 0.836 (12):0.164 (12)

N,N-Bis(4-chlorophenylsulfonyl)succinamide dihydrate

The asymmetric unit of the title compound, C16H14Cl2N2O6S2·2H2O, contains one half-molecule of N,N-bis(4-chlorophenylsulfonyl)succinamide, with a centre of symmetry at the mid-point of the central C—C bond, and one water molecule. The succinamide molecules are not directly connected via hydrogen bonds, but by hydrogen bonds via the water molecules

Comparison of the crystal structures and Hirshfeld surface analysis of five N-(4-methylbenzenesulfonyl)glycine hydrazone derivatives

The crystal structures of N-(4-methylbenzenesulfonyl) glycine hydrazone and four derivatives with four different substituents have been investigated, namely, (E)-N-{2-[2-(benzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide, C16H17N3O3S, (I), (E)-N-{2-[2-(4-bromobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide, C16H16BrN3O3S, (II), (E)-N-{2-[2-(4-chlorobenzylidene) hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide, C16H16ClN3O3S, (III), (E)-N-(2-{2-[4-(dimethylamino)benzylidene]hydrazinyl}-2-oxoethyl)-4-methylbenzenesulfonamide, C18H22N4O3S, (IV), and (E)-N-{2-[2-(4-methoxybenzylidene) hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide, C17H19N3O4S, (V). The molecules in all five crystal structures show similar conformations and hydrogen-bonding patterns. The central part of the molecule, i.e. C-C-N-N=C, is almost linear in all the structures, with the C-C-N-N torsion angles ranging from -178.3 (1) to -180.0 (2)degrees and the C-N-N=C torsion angles ranging from -178.5 (4) to -179.8 (3)degrees. The conformation of the N-H and C=O bonds in the amide group of the hydrazone part is syn in all the compounds. In all the structures, sulfonamide and hydrazone dimers with R-2(2) (8) ring motifs are observed, which are further augmented by C-H center dot center dot center dot O interactions. A common feature of each of (I)-(V) is the formation of sulfonamide and hydrazone dimers with an R-2(2) (8) ring motif. Hirshfeld surface analyses gave fingerprint plots for H center dot center dot center dot H, O center dot center dot center dot H/H center dot center dot center dot O, N center dot center dot center dot H/H center dot center dot center dot N, C center dot center dot center dot H/H center dot center dot center dot C and other contacts. The H center dot center dot center dot H contacts show large surfaces, whereas the O center dot center dot center dot H plots show the presence of O center dot center dot center dot H/O center dot center dot center dot H contacts with the two characteristic long sharp spikes

Performance Evaluation of RBF Wells with Special Reference to Water Quality Parameters in Hard Rock Region of Tungabhadra Catchment

Tungabhadra River is the chief source for drinking water and agriculture developments in Davangere and adjoining districts of Karnataka. It is reported that the water of Tungabhadra is getting polluted by the direct / indirect effluent discharges due to which people living on the river bank are facing the problem of drinking water. River Bank Filtration (RBF) wells which will naturally treat the polluted surface and ground water have been drilled in perpendicular to the river at a distance of 30m, 50m and 80m to understand the extent of treatment of RBF wells to provide clean and safe drinking water. The present study deals with the problems of water quality in a selected village (Somlapura) located in a hard rock terrain of river Tungabhadra, Karnataka, India. As a part of the investigation, water samples were collected from River Bank Filtration wells and adjoining river and aquifers were analyzed using standard methods. Outcomes of water quality presents that the concentrations of turbidity and total coliform were lesser in the RBF well water samples when compared to Tungabhadra River water samples. The water from RBF wells contained fresh water, which is highly mineralized and free from bacterial contamination relative to the water from river. However, groundwater of the adjoining aquifers showed wide variations in various physio-chemical parameters. From the analysis, unsafe levels of total coliforms (included E.coli and F. Coli) were detected in Tungabhadra River i.e., It varied between 1680 and 3179 MPN/100 ml. It is observed that the average removal efficiency of coliform bacteria from RBF well 1 & 2 was 99.84% and 99.82% respectively

Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamideN,N-dimethylformamide monosolvate

The asymmetric unit of the title compound, C15H13ClN4O5S-C3H7NO, contains one molecule each of the Schiff base and the solvent dimethylformamide. The hydrazone group adopts an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 86.58 (2). In the crystal, pairs of N H center dot center dot center dot O hydrogen bonds between centrosymmetrically related molecules generates rings with an R(2)2(10) graph -set motif. The dimers are further linked via N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, leading to the formation of R411) ring motifs. C-H center dot center dot center dot pi interactions are also observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis, which indicates that the most significant contacts in packing are O center dot center dot center dot H/H center dot center dot center dot O (31.3%), followed by H center dot center dot center dot H (25.4%) and C center dot center dot center dot H/H center dot center dot center dot C(13.0%)