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N-[(Z)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]-1H-1,2,4-triazol-5-amine.

ABSTRACT: In the title compound, C(8)H(9)N(5), a Schiff base derived from N-methyl-pyrrole-2-carbaldehyde and 3-amino-1,2,4-triazole, the C=N double bond linking the two aromatic rings has a Z conformation. The two rings are twisted by 24.20 (5)°. A chain motif results from N-H⋯N hydrogen bonding.

SUBMITTER: Chohan ZH

PROVIDER: S-EPMC2967972 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-[(E)-(5-Methyl-thio-phen-2-yl)methyl-idene]-1H-1,2,4-triazol-3-amine.

Project description:In the title Schiff base, C(8)H(8)N(4)S, a condensation product of 5-methyl-thio-phene-2-carboxaldehyde and 3-amino-1,2,4-triazole, the dihedral angle between the triazolyl and thienyl rings is 6.44?(14)°. The compound exists as a polymeric chain arising from inter-molecular N-H?N bonding.

| S-EPMC2968039 | biostudies-literature

3-Pyridin-2-yl-1H-1,2,4-triazol-5-amine.

Project description:In the title compound, C(7)H(7)N(5), the non-H atoms are almost coplanar (r.m.s. deviation = 0.050?Å), with the N atom of pyridine ring oriented to the N-N(H) side of the 1,2,4-triazole ring. The mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 5.58?(7)°. The N atom of the amino group adopts a pyramidal configuration. The mol-ecules are linked into a two-dimensional network parallel to (10) by N-H?N hydrogen bonds.

| S-EPMC2968045 | biostudies-literature

Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl-idene}hydroxyl-amine.

Project description:The title compound, C15H14N4O, crystallizes with two mol-ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175?Å). In the first mol-ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69?(8) and 51.88?(6)°, respectively, with corresponding angles of 54.49?(7) and 49.61?(9)°, respectively, in the second mol-ecule. In the crystal, the two mol-ecules, together with their inversion-symmetry counterparts, are linked into tetra-mers by O-H?N hydrogen bonds. The tetra-mers form layers parallel to (211) through pairwise C-H?? inter-actions.

| S-EPMC4257281 | biostudies-literature

N-(Naphthalen-1-yl-methyl-idene)-4H-1,2,4-triazol-4-amine.

Project description:In the title mol-ecule, C(13)H(10)N(4), the dihedral angle between the triazole ring and the naphthalene ring system is is 56.1?(2)°. In the crystal, mol-ecules are connected by weak C-H?N hydrogen bonds into chains along [100]. A short intra-molecular C-H?N contact is also observed.

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3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).

Project description:In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine mol-ecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3?(2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, the mean planes of the phenyl and 1,2,4-triazole rings form a dihedral angle of 30.8?(2)°. The ?-electron delocalization of the amino group with the 1,2,4-triazole nucleus in the 3-phenyl-1,2,4-triazol-5-amine mol-ecule is more extensive than that in the 5-phenyl-1,2,4-triazol-3-amine tautomer. The mol-ecules are linked into a two-dimensional network parallel to (100) by N-H?N hydrogen bonds.

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<i>N</i>-[(<i>E</i>)-Quinolin-2-yl-methyl-idene]-1,2,4-triazol-4-amine hemihydrate.

Project description:The title hemihydrate, C12H9N5·0.5H2O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base mol-ecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol-ecule bridges two Schiff base mol-ecules via O-H⋯N hydrogen bonds. The Schiff base mol-ecules are inter-connected by π-π stacking inter-actions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [10].

| S-EPMC9462182 | biostudies-literature

2-[(1-Methyl-1H-pyrrol-2-yl)methyl-idene]propane-dinitrile.

Project description:In the title compound, C(9)H(7)N(3), the N-bound methyl group and vinyl H atom are syn. The 12 non-H atoms comprising the mol-ecule are essentially coplanar (r.m.s. deviation = 0.071?Å). Supra-molecular tapes feature in the crystal packing, orientated perpendicular to [10-1], and are formed by C-H?N inter-actions involving each cyano N atom. The tapes are connected into layers via ?-? inter-actions occurring between translationally related pyrrole rings [ring centroid-centroid distance = 3.8754?(10)?Å]; the layers stack along the b axis.

| S-EPMC3344110 | biostudies-literature

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]benzohydrazide.

Project description:In the title compound, C(13)H(13)N(3)O, the phenyl and pyrrole rings are inclined at 47.45?(8)°. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds form R(2) (1)(6) ring motifs. Mol-ecules connected through these hydrogen bonds are arranged into polymeric chains extending along the c axis.

| S-EPMC3007219 | biostudies-literature

Ethyl 3-{[(3-methyl-anilino)(1H-1,2,4-triazol-1-yl)methyl-idene]amino}-1-benzofuran-2-carboxyl-ate.

Project description:The crystal structure of the title compound, C(21)H(19)N(5)O(3), is stabilized by inter-molecular N-H⋯N and C-H⋯O hydrogen bonds. The mol-ecule contains a planar [maximum deviations = -0.026 (1) and 0.027 (2) Å] benzofuran ring system, which forms dihedral angles of 78.75 (8) and 39.78 (7)° with the benzene and triazole rings, respectively.

| S-EPMC3008986 | biostudies-literature

N-[(4-Amino-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth-yl]-4-methyl-benzamide.

Project description:In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21 (7)°. The amino group adopts a pyramidal configuration. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure and generates an S(8) ring. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, N-H⋯S, N-H⋯N and C-H⋯S hydrogen bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic π-π stacking inter-actions [centroid-centroid distance = 3.3330 (7) Å].

| S-EPMC2983242 | biostudies-literature

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