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4-(3-Methoxy-phen-yl)-3-[2-(4-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96?(6) and 7.01?(6)° in one mol-ecule, and 64.37?(5) and 10.73?(5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H?O hydrogen bonds.

SUBMITTER: Hanif M

PROVIDER: S-EPMC2968207 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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4-(3-Methoxy-phen-yl)-3-[2-(4-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Hanif Muhammad M Qadeer Ghulam G Rama Nasim Hasan NH Akhtar Javeed J Helliwell Madeleine M

Acta crystallographica. Section E, Structure reports online 20090128 Pt 2

The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96 (6) and 7.01 (6)° in one mol-ecule, and 64.37 (5) and 10.73 (5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H⋯O hydrogen bonds. ...[more]

PMID: 21581982

Similar Datasets

4-(4-Methoxy-phen-yl)-3-[2-(2-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The title compound, C(18)H(19)N(3)O(3), is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59?(4) and 61.37?(4)°. The crystal structure is stabilized by inter-molecular N-H?O hydrogen-bond inter-actions between centrosymmetrically related mol-ecules [the dihedral angle between the benzene rings is 47.44?(5)°].

| S-EPMC2968336 | biostudies-literature

1-(4-Methoxy-phen-yl)-3-methyl-1H-1,2,4-triazol-5(4H)-one.

Project description:In the title compound, C(10)H(11)N(3)O(2), the triazole ring has a dihedral angle of 11.55?(2)° relative to the benzene ring. The crystal packing is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds, and by weak ?-? stacking inter-actions [centroid-to-centroid distance = 3.545?(3)?Å].

| S-EPMC2959649 | biostudies-literature

4-[2-(4-Hy-droxy-phen-yl)eth-yl]-3-propyl-1H-1,2,4-triazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(13)H(17)N(3)O(2), contains eight crystallographically independent mol-ecules. The planes of the benzene and triazole rings in the eight mol-ecules make dihedral angles of 5.53?(13), 9.33?(13), 19.28?(11), 17.36?(8), 12.84?(12), 8.03?(8), 19.97?(11), and 7.98?(8)°. The eight mol-ecules in the asymmetric unit are linked by inter-molecular O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3379251 | biostudies-literature

1-(4-Chloro-phen-yl)-1H-1,2,4-triazol-5(4H)-one.

Project description:In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra-molecular C-H⋯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops and C-H⋯O inter-actions link the dimers into [100] chains. Weak π-π stacking inter-actions [centroid-centroid distance = 3.644 (1) Å] are also observed.

| S-EPMC3998536 | biostudies-literature

4-Amino-3-(4-hydroxy-phen-yl)-1H-1,2,4-triazol-5(4H)-one.

Project description:The mol-ecule of the title compound, C(8)H(8)N(4)O(2), is nearly planar, with a dihedral angle between the rings of 1.1 (1)°. Adjacent mol-ecules are linked into a layered structure by hydr-oxy-oxo O-H⋯O and triazol-yl-hydr-oxy N-H⋯O hydrogen bonds. Only one of the H atoms of the pyramidal amino group is engaged in building up the infinite layer. The second H atom of the amino group also shows hydrogen-bonding inter-actions, linking adjacent layers into a three-dimensional network.

| S-EPMC2960044 | biostudies-literature

4-n-Butyl-3-(3-methyl-phen-yl)-1H-1,2,4-triazol-5(4H)-one.

Project description:In the mol-ecule of the title compound, C(13)H(17)N(3)O, the two rings make a dihedral angle of 56.63?(13)°. Mol-ecules are linked by strong N-H?O inter-molecular hydrogen bonds into chains running along the c axis.

| S-EPMC2962021 | biostudies-literature

5-(2-Methoxy-benz-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.

Project description:In the mol-ecule of the title compound, C(17)H(17)N(3)O(3), the triazole ring is oriented at dihedral angles of 88.09?(3) and 83.72?(3)° with respect to the 2-methoxy-benzyl and 2-methoxy-phenyl rings, respectively. The dihedral angle between the 2-methoxy-benzyl and 2-methoxy-phenyl rings is 52.95?(3)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a ?-? contact between the 2-methoxy-phenyl rings [centroid-centroid distance = 3.811?(3)?Å].

| S-EPMC2968299 | biostudies-literature

5-(3-Methoxy-pheneth-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.

Project description:In the mol-ecule of the title compound, C(18)H(19)N(3)O(3), the triazole ring is oriented with respect to the 3-methoxy-phenyl and 2-methoxy-phenyl rings at dihedral angles of 11.79?(3) and 89.22?(3)°, respectively. The dihedral angle between the two benzene rings is 85.95?(3)°. In the crystal structure, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules. There is a ?-? contact between the triazole and 3-methoxy-phenyl rings [centroid-centroid distance = 3.916?(3)?Å]. There is a ?-? contact between the triazole and one of the 3-methoxy-phenyl rings [centroid-centroid distance = 3.916?(3)?Å ]. C-H?? contacts are also found between the benzene ring and the methyl groups of their 3-methoxy-substituents.

| S-EPMC2959665 | biostudies-literature

4-[2-(4-Meth-oxy-phen-yl)eth-yl]-3-(thio-phen-2-ylmeth-yl)-1H-1,2,4-triazol-5(4H)-one monohydrate.

Project description:In the title compound, C(16)H(17)N(3)O(2)S·H(2)O, the triazole ring makes a dihedral angle of 34.63?(6)° with the benzene ring. The thio-phene ring is disordered over two orientations [occupancy ratio = 0.634?(4):0.366?(4)] which make dihedral angles of 54.61?(16) and 54.57?(31)° with the triazole ring. Inter-molecular N-H?O and O-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3238856 | biostudies-other

3-(3-Methoxy-benz-yl)-4-(2-methoxy-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(17)H(17)N(3)O(2)S, the five-membered ring forms dihedral angles of 53.02 (3) and 78.57 (3)° with the 3-meth-oxy-substituted and 2-meth-oxy-substituted benzene rings, respectively. In the crystal structure, mol-ecules are linked into centrosymmetric dimers via inter-molecular N-H⋯S hydrogen bonds.

| S-EPMC2959946 | biostudies-literature

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