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Crystal structure of (E)-N-{2-[2-(2-chloro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}-4-methyl-benzamide monohydrate.

ABSTRACT: The title compound, C17H16ClN3O2·H2O, an acyl-hydrazone derivative, contains a glycine moiety and two substituted benzene rings on either end of the chain. It crystallized as a monohydrate. The mol-ecules adopt an E conformation with respect to the C=N double bond, as indicated by the N-N=C-C torsion angle of 179.38 (14)°. The mol-ecule is twisted in such a way that the almost planar Car-C(=O)-N(H)-C(H2) and C(H2)-C(=O)N(H)-N=C-Car [r.m.s deviations = 0.009 and 0.025 Å, respectively] segments are inclined to on another by 77.36 (8)°, while the benzene rings are normal to one another, making a dihedral angle of 89.69 (9)°. In the crystal, the water mol-ecule links three mol-ecules through two O-H⋯O and one N-H⋯O hydrogen bonds. The mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked by O-H⋯O hydrogen bonds, involving two mol-ecules of water, forming chains along [100], enclosing R 2 (2)(14) and R 2 (2)(18) ring motifs. The chains are linked through C-H⋯O inter-actions, forming sheets parallel to (010). Within the sheets, there are C-H⋯π and parallel slipped π-π stacking inter-actions present [inter-centroid distance = 3.6458 (12) Å].

SUBMITTER: Purandara H

PROVIDER: S-EPMC4518978 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-N-{2-[2-(3-chloro-benzyl-idene)hydrazin-yl]-2-oxoeth-yl}-4-methyl-benzene-sulfonamide monohydrate.

Project description:The mol-ecule 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 mol-ecule, 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-toluene-sulfonyl 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.

| S-EPMC4459383 | biostudies-literature

7-Chloro-4-[(E)-N'-(4-fluoro-benzyl-idene)hydrazin-yl]quinoline monohydrate.

Project description:The mol-ecule of the title hydrate, C(16)H(11)ClFN(3)·H(2)O, is slightly twisted, as indicated by the dihedral angle of 9.55?(10)° formed between the quinoline ring system and the benzene ring. The conformation about the C=N double bond is E, and the amine-H atom is oriented towards the quinoline residue. In the crystal structure, the water mol-ecule accepts an N-H?O and makes two O-H?N(quinoline) hydrogen bonds, generating a two-dimensional array in the ab plane, which is further stabilized by C-H?O inter-actions. The most significant contacts between layers are of the type C-H?F.

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7-Chloro-4-[(E)-2-(2-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

Project description:In the title hydrate, C(17)H(14)ClN(3)O·H(2)O, the dihedral angle between the quinoline fused-ring system and the benzene ring is 13.4?(2)° and the conformation about the C=N bond is E. In the crystal, N(h)-H?O(w) and O(w)-H?N(q) (h = hydro-zone, w = water and q = quinoline) hydrogen bonds generate a two-dimenstional network in the ac plane. A weak C-H?O inter-action helps to consolidate the packing.

| S-EPMC2983501 | biostudies-literature

7-Chloro-4-[(E)-2-(4-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

Project description:The organic mol-ecule in the title hydrate, C(17)H(14)ClN(3)O·H(2)O, has a small but significant twist from planarity, as seen in the dihedral angle of 12.10?(17)° between the quinoline and benzene rings. The conformation about the C=N bond is E. Chains along the b axis are formed in the crystal structure aided by water-quinoline O-H?N (× 2) and hydrazone-water N-H?O hydrogen bonds. Layers of these chains stack along the a axis via C-H?? and ?-? inter-actions [ring centroid-ring centroid distance = 3.674?(2)?Å]. C-H?O inter-actions are also present.

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Crystal structure of (E)-4-methyl-N-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide N,N-di-methyl-formamide monosolvate.

Project description:The mol-ecule of the title Schiff base compound, C16H16N4O5S·C3H7NO, displays a trans conformation with respect to the C=N double bond. The C-N and N-N bonds are relatively short compared to their normal bond lengths, indicating some degree of delocalization in the mol-ecule. The mol-ecule is bent at the S atom, with an S-N-C-C torsion angle of 164.48?(11)°. The dihedral angle between the two aromatic rings is 84.594?(7)°. Inter-molecular N-H?O and C -H?O hydrogen bonds connect centrosymmetrically related mol-ecules into dimers forming rings of R33(11) and R22(10) graph-set motif stacked along the a axis into a columnar arrangement. The mol-ecular columns are further linked into a three-dimensional network by C-H?? inter-actions.

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Crystal structure of (E)-N-{2-[2-(4-methyl-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}-p-toluene-sulfonamide.

Project description:The title acyl-hydrazone derivative, C17H19N3O3S, containing an amino acid moiety and electron-donating substituents attached to both the phenyl rings, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The mol-ecules are bent at the S atom, with C-SO2-NH-CH2 torsion angles of -67.3?(2) and 67.7?(3)° in mol-ecules A and B, respectively. Further, the dihedral angles between the sulfonyl-glycine segments and the p-toluene-sulfonyl rings are 76.1?(1) and 85.8?(1)° in mol-ecules 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) (mol-ecule A) and 2.9?(2)° (mol-ecule B). The dihedral angles between the benzene rings are 86.83?(12) (mol-ecule A) and 74.00?(14)° (mol-ecule B). In the crystal, the A mol-ecules are linked by a pair of N-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via three N-H?O hydrogen bonds involving the B mol-ecules, forming chains along [100] and enclosing R 2 (2)(12) and R 4 (4)(16) ring motifs. The chains are linked via C-H?O hydrogen bonds and a C-H?? inter-action, forming sheets parallel to (010). There is a further C-H?? inter-action and a slipped parallel ?-? inter-action [inter-centroid distance = 3.8773?(16)?Å] between the sheets, leading to the formation of a three-dimensional framework.

| S-EPMC4459384 | biostudies-other

(Z)-2-[2-(4-Methyl-benzyl-idene)hydrazin-yl]pyridine.

Project description:Mol-ecules of the title compound, C(13)H(13)N(3), are essentially planar (r.m.s. deviation for all non-H atoms = 0.054?Å). The dihedral angle between the two aromatic rings is 6.33?(5)°. In the crystal, pairs of centrosymmetrically related mol-ecules are linked through N-H?N hydrogen bonds, forming N-H?N dimers with graph-set motif R(2) (2)(8).

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Crystal structure of (E)-3-{[2-(2,4-di-chloro-benzyl-idene)hydrazin-1-yl]carbon-yl}pyridinium chloride trihydrate.

Project description:In the title hydrated salt, C13H10Cl2N3O(+)·Cl(-)·3H2O, the organic cation exhibits a dihedral angle of 8.26 (14)° between the mean planes of the pyridinium and benzene rings, and dihedral angles of 8.70 (15) and 15.93 (5)° between the mean planes of the hydrazide group and the benzene and pyridinium rings, respectively. In the crystal, N-H⋯O, N-H⋯Cl, C-H⋯O, C-H⋯Cl, O-H⋯O, O-H⋯N and O-H⋯Cl hydrogen bonds link the complex cations, chloride anions and solvent water mol-ecules into a three-dimensional network.

| S-EPMC4384619 | biostudies-literature

2-[(E)-2-(3,4-Di-chloro-benzyl-idene)hydrazin-1-yl]quinoxaline.

Project description:The 21 non-H atoms of the title compound, C15H10Cl2N4, are almost planar (r.m.s. deviation = 0.032?Å); the conformation about the N=C bond [1.277?(6)?Å] is E. In the crystal, zigzag supra-molecular chains along the c axis (glide symmetry) are formed via N-H?N hydrogen bonds. These associate along the b axis by ?-? inter-actions between the fused and terminal benzene rings [inter-centroid distance = 3.602?(3)?Å] so that layers form in the bc plane.

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Crystal structure of 2-[(E)-2-(2-chloro-benzyl-idene)hydrazin-1-yl]-4-phenyl-1,3-thia-zole.

Project description:The asymmetric unit of the title compound, C16H12ClN3S, contains two independent mol-ecules whose conformations differ primarily in the orientations of the phenyl and chloro-benzene rings with respect to the thia-zole ring. In the first mol-ecule, the dihedral angles are 3.0?(1) and 9.2?(1)°, respectively, for the phenyl ring and the chloro-benzene ring, while in the second mol-ecule, the corresponding angles are 18.6?(1) and 23.4?(1)°. In the crystal, the two independent mol-ecules are associated via complementary N-H?N hydrogen bonds into a dimer. These dimers are associated through weak C-H?Cl and C-H?S inter-actions into supra-molecular chains propagating along the a-axis direction.

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