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(E)-2-[(1H-Imidazol-4-yl)methyl-idene]hydrazinecarbo-thio-amide monohydrate.

ABSTRACT: In the title compound, C5H7N5S·H2O, the main mol-ecule is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.1478?(12)?Å for the amine N atom. In the crystal, the components are connected via N-H?O, N-H?S and O-H?N hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Houari B

PROVIDER: S-EPMC3884473 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(E)-2-[(1H-Imidazol-4-yl)methyl-idene]hydrazinecarbo-thio-amide monohydrate.

Houari Benayad B Louhibi Samira S Boukli-Hacene Leila L Roisnel Thierry T Taleb Mustapha M

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

In the title compound, C5H7N5S·H2O, the main mol-ecule is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.1478 (12) Å for the amine N atom. In the crystal, the components are connected via N-H⋯O, N-H⋯S and O-H⋯N hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 24427091

Similar Datasets

Crystal structures of two hydrazinecarbo-thio-amide derivatives: (E)-N-ethyl-2-[(4-oxo-4H-chromen-3-yl)methyl-idene]hydrazinecarbo-thio-amide hemi-hydrate and (E)-2-[(4-chloro-2H-chromen-3-yl)methyl-idene]-N-phenyl-hydrazinecarbo-thio-amide.

Project description:The title compounds, C13H13N3O2S·0.5H2O, (I), and C17H14ClN3OS, (II), are hydrazinecarbo-thio-amide derivatives. Compound (I) crystallizes with two independent mol-ecules (A and B) and a water mol-ecule of crystallization in the asymmetric unit. The chromene moiety is essentially planar in mol-ecules A and B, with maximum deviations of 0.028?(3) and 0.016?(3)?Å, respectively, for the carbonyl C atoms. In (II), the pyran ring of the chromene moiety adopts a screw-boat conformation and the phenyl ring is inclined by 61.18?(9)° to its mean plane. In the crystal of (I), bifurcated N-H?O and C-H?O hydrogen bonds link the two independent mol-ecules forming A-B dimers with two R 2 (1)(6) ring motifs, and R 2 (2)(10) and R 2 (2)(14) ring motifs. In addition to these, the water mol-ecule forms tetra-furcated hydrogen bonds which alternately generate R 4 (4)(12) and R 6 (6)(22) graph-set ring motifs. There are also ?-? [inter-centroid distances = 3.5648?(14) and 3.6825?(15)?Å] inter-actions present, leading to the formation of columns along the c-axis direction. In the crystal of (II), mol-ecules are linked by pairs of N-H?S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked by C-H?? inter-actions, forming ribbons lying parallel to (210).

| S-EPMC4350706 | biostudies-literature

N-Methyl-2-(1,2,3,4-tetra-hydro-naph-thalen-1-yl-idene)hydrazinecarbo-thio-amide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent mol-ecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first mol-ecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N-N-C-N fragment make dihedral angles of 12.92?(14)° in the first independent mol-ecule and 7.60?(13)° in the second. In the crystal, mol-ecules are linked by weak N-H?S hydrogen bonds into chains along the a-axis direction. The crystal packing ressembles a herringbone arrangement.

| S-EPMC3998428 | biostudies-literature

N-Methyl-2-(1-methyl-3-phenyl-prop-2-en-1-yl-idene)hydrazinecarbo-thio-amide.

Project description:In the title compound, C12H15N3S, the mol-ecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756?(6)?Å for the S atom and a torsion angle for the N-N-C-N fragment of -7.04?(16)°. In the crystal, mol-ecules are linked by N-H?S hydrogen-bond inter-actions, forming centrosymmetric dimers. Additionally, one weak intra-molecular N-H?N hydrogen-bond inter-action is observed. The crystal packing shows a herringbone arrangement viewed along the c axis.

| S-EPMC4120594 | biostudies-literature

Dichlorido{(2E)-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbo-thio-amide}cadmium(II) methanol monosolvate.

Project description:In the title compound, [CdCl2(C13H12N4S)]·CH3OH, the coord-ination geometry of the Cd(II) ion is slightly distorted square-pyramidal, as indicated by the ? index of 0.36?(8). The S atom, two N atoms from the pyridyl-azomethine moiety and one of the Cl atoms comprise the basal plane, while the other Cl atom occupies the apical position. The hydrazinecarbo-thio-amide moiety adopts an E conformation with respect to the azomethine bond. The solvate mol-ecule in the crystal lattice plays a major role in inter-connecting adjacent mol-ecules by means of O-H?Cl and N-H?O hydrogen-bonding inter-actions. A supra-molecular three-dimensional architecture is sustained in terms of further N-H?Cl and C-H?Cl hydrogen-bonding inter-actions.

| S-EPMC4158520 | biostudies-literature

2-(5-Chloro-2-oxoindolin-3-yl-idene)hydrazinecarbo-thio-amide.

Project description:The title mol-ecule, C9H7ClN4OS, is almost planar, with an r.m.s. deviation of 0.034?(2)?Å for the mean plane through all the non-H atoms. Intra-molecular N-H?O and N-H?N hydrogen bonds form S(6) and S(5) ring motifs, respectively. In the crystal, mol-ecules are assembled into inversion dimers through pairs of co-operative N-H?Cl inter-actions. These dimers are connected along the b axis by N-H?O and N-H?S hydrogen bonds, generating layers parallel to (103). The layers are further connected along the a axis into a three-dimensional network, through weak ?-? stacking inter-actions [centroid-centroid distance = 3.849?(2)?Å].

| S-EPMC4029216 | biostudies-literature

N-Ethyl-2-[1-(2-hy-droxy-4-methyl-phen-yl)ethyl-idene]hydrazinecarbo-thio-amide.

Project description:The title compound, C12H17N3OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbo-thio-amide group are 6.9?(4) and 37.2?(5)° in mol-ecules A and B, respectively. An intra-molecular O-H?N hydrogen bond is observed in each mol-ecule. This serves to maintain an approximately planar conformation for mol-ecule A, but leaves a significant twist between these two groups in mol-ecule B. In the crystal, a weak N-H?S inter-action is observed, forming inversion dimers among the B mol-ecules and resulting in an R 2 (2)(8) motif. These dimers are further inter-connected by weak N-H?O and C-H?O inter-molecular inter-actions, forming chains along [011].

| S-EPMC4051077 | biostudies-literature

Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methyl-idene]-N-cyclo-hexyl-hydrazinecarbo-thio-amide.

Project description:In the title compound, C17H20ClN3OS, the mean plane of the central thio-urea core makes dihedral angles of 26.56?(9) and 47.62?(12)° with the mean planes of the chromene moiety and the cyclo-hexyl ring, respectively. The cyclo-hexyl ring adopts a chair conformation. The N-H atoms of the thio-urea unit adopt an anti conformation. The chromene group is positioned trans, whereas the cyclo-hexyl ring lies in the cis position to the thione S atom, with respect to the thio-urea C-N bond. In the crystal, mol-ecules are linked by N-H?S hydrogen bonds, forming inversion dimers enclosing R (2) 2(8) ring motifs. The dimers are linked by C-H?Cl hydrogen bonds, enclosing R (6) 6(44) ring motifs, forming sheets lying parallel to (010).

| S-EPMC4186115 | biostudies-literature

N-Phenyl-2-(1,2,3,4-tetra-hydro-naph-thalen-1-yl-idene)hydrazinecarbo-thio-amide.

Project description:The conformation of the title mol-ecule, C17H17N3S, is stabilized by an intra-molecular N-H?N hydrogen bond involving the azometinic group. The dihedral angle between the two aromatic rings is 36.49?(06)°. The non-aromatic ring of the tetra-lone substituent adopts a sofa conformation. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds related via centres of symmetry, forming dimers.

| S-EPMC3998352 | biostudies-literature

4-[3-(1H-Imidazol-1-yl)prop-yl]-3-methyl-5-(thio-phen-2-ylmeth-yl)-4H-1,2,4-triazole monohydrate.

Project description:In the title compound, C(14)H(17)N(5)S·H(2)O, the triazole ring makes dihedral angles of 48.15?(8) and 84.92?(8)° with the imidazole and thio-phenyl rings, respectively. The water mol-ecule is involved in inter-molecular O-H?N hydrogen bonding.

| S-EPMC3011757 | biostudies-literature

N-Ethyl-2-[1-(2-hy-droxy-naphthalen-1-yl)ethyl-idene]hydrazinecarbo-thio-amide.

Project description:In the title compound, C15H17N3OS, the dihedral angle between the mean planes of the 2-hy-droxy-napthyl ring system and the hydrazinecarbo-thio-amide group is 73.7?(3)°. In the crystal, weak O-H?S and C-H?O inter-actions and ?-? stacking inter-actions involving one of the hy-droxy-napthyl rings with a centroid-centroid distance of 3.6648?(14)?Å are observed, forming infinite chains along [010]. In addition, N-H?S inter-actions occur.

| S-EPMC4051082 | biostudies-literature

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