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(E)-5-[(2-Hy-droxy-5-meth-oxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

ABSTRACT: In the title thione-Schiff base compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 6.69 (8)°. An intra-molecular O-H⋯N hydrogen bond forms an S(2) (2)(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯S inter-actions occur, generating R(2) (2)(8) ring motifs. The crystal structure features a S⋯S contact [3.3776 (7) Å], which is significantly shorter than the sum of the van der Waals radii (3.7 Å). The crystal structure also features C-H⋯O and π-π inter-actions [centroid-centroid distances = 3.4636 (9)-3.808 (1) Å].

SUBMITTER: Kargar H

PROVIDER: S-EPMC3238963 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-5-[(2-Hy-droxy-3-meth-oxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 1.54?(13)°. An intra-molecular O-H?N hydrogen bond makes an S(6) ring. In the crystal, mol-ecules are linked together through bifurcated N-H?(O,O) hydrogen bonds having R(1) (2)(5) ring motifs, forming chains along the b axis. The crystal structure also features ?-? inter-actions, with centroid-centroid distances of 3.699?(3)-3.767?(3)?Å.

| S-EPMC3239138 | biostudies-literature

5-[(E)-(5-Bromo-2-hy-droxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title mol-ecule, C(9)H(6)BrN(3)OS(2), the dihedral angle between the benzene ring and the five-membered ring is 5.5?(3)°. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, N-H?S hydrogen bonds link mol-ecules into centrosymmetric dimers creating R(2) (2)(8) ring motifs. In addition, there are inter-molecular S?S [3.430?(2)?Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113?(3):0.887?(3) for the components.

| S-EPMC3239069 | biostudies-literature

(E)-5-[(3-Eth-oxy-2-hy-droxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C(11)H(11)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 6.85?(9)°. An intra-molecular O-H?N hydrogen bond makes an S(6) ring motif. In the crystal, mol-ecules are linked through bifurcated N-H?(O,O) hydrogen bonds with R(1) (2)(5) ring motifs, forming chains along the b axis. A short C?S contact [3.3189?(19)?Å], which is shorter than the sum of the van der Waals radii of these atoms (3.50?Å), occurs in the structure. The crystal structure is further stabilized by C-H?N hydrogen bonding and ?-? inter-actions [centroid-centroid distance = 3.7649?(12)?Å].

| S-EPMC3239070 | biostudies-literature

3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C15H12N2S2, the two phenyl rings and the planar (r.m.s. deviation = 0.002?Å) thia-diazole ring adopt a propeller conformation about the central C-H axis with H-C-C-C(phen-yl) torsion angles of 44 and 42° and an H-C-N-C(thia-diazole) torsion angle of 28°. Intra-molecular C-H?S and C-H?N contacts are observed. In the crystal, centrosymmetrically related mol-ecules associate through C-H?? inter-actions. These are connected into a supra-molecular chain along [101] by C-H?N inter-actions.

| S-EPMC3884419 | biostudies-literature

5-Eth-oxy-1,3,4-thia-diazole-2(3H)-thione.

Project description:In the title compound, C(4)H(6)N(2)OS(2), the dihedral angle between the five-membered heterocyclic ring and the plane of the eth-oxy group is 4.9?(2)°. The 1,3,4-thiadiazole-2-thione unit is planar, with an r.m.s. deviation of 0.011?Å from the corresponding squares plane defined by the seven constituent atoms. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into inversion dimers.

| S-EPMC3275248 | biostudies-literature

5-(4-Pyrid-yl)-1,3,4-thia-diazole-2(3H)-thione.

Project description:The title compound C(7)H(5)N(3)S(2), occurs as the thione tautomer in the solid state; the dihedral angle between the pyridine and thia-diazole ring planes is 2.08?(6)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating C(8) chains propagating in [010].

| S-EPMC3050180 | biostudies-literature

3-Methyl-5-methyl-sulfanyl-1,3,4-thia-diazole-2(3H)-thione.

Project description:The title compound, C(4)H(6)N(2)S(3), has two very similar mol-ecules per asymmetric unit. The nine non-H atoms in each mol-ecule are coplanar, both having comparable r.m.s. deviations of 0.002?Å. The main inter-est in the rather simple structure resides in a survey of very weak (in some cases, borderline) non-bonding inter-actions of various kinds, viz. S?S, C-H??, ?-? [centroid-centroid distance = 3.8958?(13)?Å] and C-S?? [3.7271?(11)?Å], which act as the major driving force for the arrangement of mol-ecules in the structure. The role of long, though highly directional, S?S contacts (d > 3.60?Å), and their relevance to the stability of the structure is discussed.

| S-EPMC3470395 | biostudies-literature

(E)-4-Hy-droxy-N'-(3-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title benzohydrazide derivative, C(15)H(14)N(2)O(4), exists in a trans conformation with respect to the C=N double bond and is twisted, the dihedral angle between the two benzene rings being 24.17?(6)°. The meth-oxy group is almost co-planar with respect to the attached benzene ring [C(m)-O-C-C (m = meth-yl) = -1.45?(17)°]. In the crystal, the mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into sheets parallel to the bc plane. These sheets are further connected into a three-dimensional network by weak C-H?O and C-H?? inter-actions.

| S-EPMC3201407 | biostudies-literature

(E)-4-Hy-droxy-N'-(4-hy-droxy-3-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(4), the N=C double bond has an E configuration. The two benzene rings make a dihedral angle of 28.59?(6)°. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds and stabilized by weak C-H?? inter-actions.

| S-EPMC3011781 | biostudies-literature

(E)-4-Hy-droxy-N'-(2-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(4), the dihedral angle between the benzene rings is 40.59 (4)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3394058 | biostudies-literature

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