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2-(4-Fluoro-benzyl-idene)-N-(4-meth-oxy-benzylidene)-1,3,4-thia-diazol-2-amine.

ABSTRACT: The title compound, C(16)H(12)FN(3)OS, was synthesized by the reaction of 5-(4-meth-oxy-phen-yl)-1,3,4-thia-diazol-2-amine and 4-fluoro-benzaldehyde. An intra-molecular C-H⋯S hydrogen bond results in the formation of two five-membered rings. In the crystal structure, inter-molecular C-H⋯N hydrogen bonding links the mol-ecules, forming a two-dimensional network.

SUBMITTER: He Q

PROVIDER: S-EPMC3007009 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-({[(E)-Benzyl-idene-amino]-oxy}meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the mol-ecule of the title compound, C(10)H(10)N(4)OS, the configuration about the C=N double bond is E. The dihedral angle between the thia-diazole and benzene rings is 81.1?(1)°. In the crystal, mol-ecules are linked by N-H?N and C-H?O hydrogen bonds to form a two-dimensional network parallel with the bc plane.

| S-EPMC3295532 | biostudies-other

5-(4-Meth-ylphenyl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(9)H(9)N(3)S, was synthesized by the reaction of 4-methyl-benzoic acid and thio-semicarbazide. The thia-diazol ring adopts a planar conformation and makes a dihedral angle of 31.19 (18)° with the phenyl ring. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds.

| S-EPMC2977673 | biostudies-literature

5-(5'-Fluoro-2'-meth-oxy-biphenyl-3-yl)-1,3,4-oxa-diazol-2-amine.

Project description:In the title compound, C15H12FN3O2, the dihedral angles between the central benzene ring and the pendant benzene and oxa-diazole rings are 45.05?(13) and 15.60?(14)°, respectively. The C atom of the meth-oxy group is roughly coplanar with its attached ring [displacement = 0.178?(4)?Å]. In the crystal, N-H?N hydrogen bonds link the mol-ecules into [010] chains. Weak C-H?? inter-actions are also observed.

| S-EPMC3885053 | biostudies-literature

5-(3-Fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(6)FN(3)S, was synthesized by the reaction of 3-fluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and benzene rings is 37.3 (2)°. In the structure, two crystallographically independent mol-ecules form a centrosymmetric dimer, in which two inter-molecular N-H⋯N hydrogen bonds generate an R(2) (2)(8) motif.

| S-EPMC2969772 | biostudies-literature

5-Meth-oxy-1,3,4-thia-diazol-2(3H)-one.

Project description:The three mol-ecules in the asymmetric unit of the title compound, C(3)H(4)N(2)O(2)S, are connected via N-H?O hydrogen bonds, forming layers normal to [001]. The rings of the mol-ecules are approximately planar, with r.m.s. deviations of 0.0051?(1), 0.0044?(1) and 0.0111?(1)?Å.

| S-EPMC3275225 | biostudies-literature

5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(2)F(5)N(3)S, was synthesized by the reaction of perfluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and perfluoro-phenyl ring is 35.41?(6)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3009109 | biostudies-literature

5-(2,4-Dichloro-phenoxy-meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(9)H(7)Cl(2)N(3)OS, was synthesized by the reaction of 2,4-dichloro-phenoxy-acetic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and benzene rings is 21.5?(2)°. In the crystal, inter-molecular N-H?N hydrogen bonding links the mol-ecules into chains along the b axis.

| S-EPMC2977151 | biostudies-literature

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

Project description: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].

| S-EPMC3238963 | biostudies-literature

(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 π-π inter-actions, with centroid-centroid distances of 3.699 (3)-3.767 (3) Å.

| S-EPMC3239138 | biostudies-literature

2-Fluoro-N'-(2-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(15)H(13)FN(2)O(2), exists in a trans configuration with respect to the methyl-idene unit. The two benzene rings form a dihedral angle of of 64.7?(2)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds into chains propagating along the c axis.

| S-EPMC3050391 | biostudies-literature

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