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(E)-1-(2,4,6-Trihy-droxy-benzyl-idene)-4-ethyl-thio-semicarbazide dihydrate.

ABSTRACT: In the title mol-ecule, C(10)H(13)N(3)O(3)S·2H(2)O, the thio-semi-carbazide =N-NH-C(=S)-NH- fragment [torsion angle = 0.2 (1)°] is nearly coplanar with the benzene ring [dihedral angle = 2.4 (1)°]. The benzene ring and semicarbazide moiety are located on opposite sites of the C=N bond, showing an E configuration. The hy-droxy, imino and water H atoms are engaged in extensive hydrogen bonding, forming a three-dimensional network.

SUBMITTER: Shawish HB

PROVIDER: S-EPMC3007985 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Benzyl-idene-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and benzaldehyde. The dihedral angle between the benzene ring and the thio-urea unit is 8.96 (7)° and an intra-molecular N-H⋯N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops.

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(E)-N'-(2,3,4-Trihy-droxy-benzyl-idene)-isonicotinohydrazide dihydrate.

Project description:In the title isoniazid derivative, C(13)H(11)N(3)O(4)·2H(2)O, the Schiff base mol-ecule exists in an E configuration with respect to the acyclic C=N bond. An intra-molecular O-H?N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The essentially planar pyridine ring [maximum deviation = 0.0119?(8)?Å] is inclined at a dihedral angle of 7.30?(4)° with respect to the benzene ring. In the crystal, inter-molecular O-H?N, O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into two-dimensional arrays lying parallel to the (10) plane. These arrays are further inter-connected into a three-dimensional extended network via O-H?O and C-H?O hydrogen bonds. A weak inter-molecular ?-? inter-action [centroid-to-centroid distance = 3.5627?(5)?Å] is also observed.

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1-(4-Chloro-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:In the title compound, C(10)H(12)ClN(3)S, the dihedral angle between the benzene ring and the thio-urea unit is 2.35?(19)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3011671 | biostudies-literature

1-(2,3,4-Trihydroxy-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:In the title mol-ecule, C(10)H(13)N(3)O(3)S, the thio-semicarbazide =N-NH-C(=S)-NH- fragment is twisted with respect to the aromatic ring [dihedral angle = 20.5?(1)°]. A weak N-H?S hydrogen bond [3.480?(1)?Å] links two mol-ecules about a center of inversion to generate a ring. The hydr-oxy groups are engaged in inter-molecular hydrogen bonding; the O-H?O and O-H?S hydrogen bonds generate a layer motif.

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4-Ethyl-1-(4-methyl-benzyl-idene)thio-semicarbazide.

Project description:In the title compound, C(11)H(15)N(3)S, an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S bonds occur, generating an R(2) (2)(8) loop.

| S-EPMC2979434 | biostudies-literature

1-(3,4-Dimethyl-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(12)H(17)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and 3,4-dimethyl-benzaldehyde. The dihedral angle between the thiourea unit and the benzene ring is 7.09 (8)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur.

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1-(2,4-Dichloro-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(10)H(11)Cl(2)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and 2,4-dichloro-benzaldehyde. It is approximately planar, the dihedral angle between the benzene ring and the thio-urea unit being 8.43 (18)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2983246 | biostudies-literature

4-Ethyl-1-(4-meth-oxy-benzyl-idene)thio-semicarbazide.

Project description:In the title compound, C(11)H(15)N(3)OS, the dihedral angle between the aromatic ring and the thio-urea unit is 4.28 (7)° and an intra-molecular N-H⋯N hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked into (001) sheets by N-H⋯S hydrogen bonds.

| S-EPMC3007044 | biostudies-literature

(E)-1-(2-Hy-droxy-5-meth-oxy-benzyl-idene)thio-semicarbazide.

Project description:In the title mol-ecule, C(9)H(11)N(3)O(2)S, an intra-molecular O-H?N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of N-H?S inter-actions, forming inversion dimers with R(2) (2)(8) ring motifs. These dimers are further linked via N-H?S and N-H?O hydrogen bonds, forming a two-dimensional network lying parallel to (100). The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance = 3.7972?(9)?Å].

| S-EPMC3275013 | biostudies-literature

(E)-1-(3-Eth-oxy-2-hy-droxy-benzyl-idene)thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)O(2)S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In the crystal, the A and B mol-ecules are linked via pairs of N-H?O and O-H?S hydrogen bonds, forming dimers with R(2) (2)(14) and R(2) (2)(6) ring motifs. These dimers are linked via a pair of N-H?S hydrogen bonds with an R(2) (2)(8) ring motif, forming chains propagating along the c-axis direction. The crystal was refined as an inversion twin with a final BASF ratio of 0.54?(11):0.46?(11).

| S-EPMC3275025 | biostudies-literature

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