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1-{(1Z)-1-[3-(2,4-Dichloro-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazole.

ABSTRACT: In the title compound, C(20)H(17)Cl(2)F(2)N(3)O(2), the triazole ring makes dihedral angles of 28.0?(3) and 72.5?(2)° with the 2,4-dichloro-pheny and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z-conformation about the C=C double bond. In the crystal, C-H?O and C-H?N hydrogen bonds link the mol-ecules.

SUBMITTER: Luan YY

PROVIDER: S-EPMC3379359 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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1-{(1Z)-1-[3-(2,4-Dichloro-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazole.

Luan Yuan-Yuan YY Hu Yong-Hong YH Guo Song S Zhu Jing J Yang Wen-Ge WG

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

In the title compound, C(20)H(17)Cl(2)F(2)N(3)O(2), the triazole ring makes dihedral angles of 28.0 (3) and 72.5 (2)° with the 2,4-dichloro-pheny and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z-conformation about the C=C double bond. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules. ...[more]

PMID: 22719557

Similar Datasets

1-{(1Z)-1-[6-(4-Chloro-phen-oxy)hex-y-l-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate.

Project description:In the title compound, C(23)H(25)ClF(2)N(3)O(2) (+)·NO(3) (-), the triazole ring makes dihedral angles of 60.9?(4) and 25.0?(3)° with the 6-chloro-phenyl and 2,4-difluoro-phenyl rings, respectively. The mol-ecule adopts a Z configuration about the C=C double bond. In the crystal, the cations and anions are linked by N-H?O hydrogen bonds and weak C-H?O inter-actions.

| S-EPMC3201488 | biostudies-literature

1-{(Z)-1-[3-(4-Bromo-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate.

Project description:In the title mol-ecular salt, C(20)H(19)BrF(2)N(3)O(2) (+)·NO(3) (-), the N atom at position 4 of the heterocyclic ring is protonated. The triazole ring makes dihedral angles of 96.6?(4) and 54.4?(3)° with the 4-bromo-phenyl and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z conformation about the C=C double bond. In the crystal, cations and anions are linked by N-H?O and C-H?O hydrogen bonds.

| S-EPMC3393281 | biostudies-literature

(2,4-Difluoro-phen-yl)[1-(1H-1,2,4-triazol-1-yl)cyclo-prop-yl]methanone.

Project description:The asymmetric unit of the title compound, C(12)H(9)F(2)N(3)O, contains two independent mol-ecules (A and B) in which the benzene and cyclo-propane rings form dihedral angles of 33.0?(1) and 29.7?(1)°, respectively. In the crystal, weak inter-molecular C-H?O hydrogen bonds link alternating A and B mol-ecules into chains along [010].

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1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.

Project description:Two crystallographically independent mol-ecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C(18)H(16)F(2)N(4)O(4). In mol-ecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoro-meth-oxy-substituted and the 3,4-dimeth-oxy-substituted benzene rings by 6.5 (2) and 16.4 (1)°, respectively. The -CHF(2) group is twisted away from the plane of the benzene ring, with a dihedral angle between the O-C bond of the OCHF(2) group and the plane of the adjacent phenyl ring of 38.6 (3)°. The corresponding parameters for mol-ecule B are 7.7 (1), 9.5 (2) and 25.2 (2)°. In both mol-ecules, the conformations are stabilized by intra-molecular N-H⋯N and C-H⋯O hydrogen bonds. There are also C-H⋯π contacts between the methyl groups and the benzene rings, and π-π stacking inter-actions between the benzene rings of adjacent parallel A mol-ecules [centroid-centroid distance = 3.8942 (17) Å]. π-π inter-actions are also observed between the triazole ring and one of the benzene rings of parallel B mol-ecules [centroid-centroid distance = 3.7055 (16) Å].

| S-EPMC3007844 | biostudies-literature

(E)-1-(3,5-Difluoro-phen-yl)-3-(2,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(17)H(14)F(2)O(3), is approximately planar, the dihedral angle between the rings being 5.46?(2)°. The H atoms of the central propenone group are trans. The crystal structure is stabilized by inter-molecular C-H?F hydrogen bonds.

| S-EPMC2983274 | biostudies-literature

(2E)-1-(2,4-Dichloro-phen-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(16)Cl(2)O(4), the dihedral angle between the benzene rings is 82.40?(4)°. The meth-oxy groups at both meta positions of the 3,4,5-trimeth-oxy-phenyl ring are slightly twisted from the aromatic ring [C-O-C-C = -166.60?(8) and -6.18?(13)°], whereas the meth-oxy group at the para position is almost perpendicular [C-O-C-C = 112.08?(9)°]. The ketone O atom is connected to the 2,4-dichloro-phenyl group through a C(ar)-C(ar)-C-O (ar = aromatic) torsion angle of -116.43?(9)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into infinite chains along the b axis. The crystal structure also features C-H?? inter-actions.

| S-EPMC3344577 | biostudies-literature

4-(3-Chloro-phen-yl)-3-[(2,6-difluoro-benz-yl)sulfan-yl]-5-(3,4,5-trimeth-oxy-phen-yl)-4H-1,2,4-triazole.

Project description:In the title compound, C(24)H(20)ClF(2)N(3)O(3)S, the essentially planar triazole ring (r.m.s. deviation = 0.001?Å) forms dihedral angles of 22.35?(10), 68.17?(10) and 42.01?(10)° with the mean planes of the trimeth-oxy-phenyl, chloro-phenyl and difluoro-phenyl rings, respectively. A weak intra-molecular C-H?? inter-action occurs. In the crystal, mol-ecules are linked into sheets lying parallel to the bc plane by C-H?O and C-H?N hydrogen bonds. The crystal packing also features weak C-H?? inter-actions.

| S-EPMC3239058 | biostudies-literature

N-{[2,5-Dichloro-4-(1,1,2,3,3,3-hexa-fluoro-prop-oxy)phen-yl]amino-carbon-yl}-2,6-difluoro-benzamide.

Project description:In the mol-ecule of the title compound, C(17)H(8)Cl(2)F(8)N(2)O(3), the two aromatic rings are oriented at a dihedral angle of 50.12?(3)°. Intra-molecular N-H?O, C-H?O and N-H?Cl hydrogen bonds result in the formation of two six- and one five-membered rings. The six-membered rings have flattened-boat conformations, while the five-membered ring adopts an envelope conformation. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2960696 | biostudies-literature

2,4-Dichloro-6-[2-meth-oxy-4-(prop-2-en-1-yl)phen-oxy]-1,3,5-triazine.

Project description:The title compound, C(13)H(11)Cl(2)N(3)O(2), was obtained by the reaction of eugenol and cyanuric chloride. The dihedral angle between the benzene and triazine rings is 87.56?(4)°. Two C atoms of the allyl group are disordered over two sites in a 0.72?(2):0.28?(2) ratio.

| S-EPMC3009022 | biostudies-literature

1-[2-(2,4-Dichloro-phenyl)-pent-yl]-1H-1,2,4-triazole.

Project description:The title compound, C(13)H(15)Cl(2)N(3), also known as penconazole, crystallizes as a racemate. The dihedral angle between the benzene and triazole rings is 24.96 (13)°. In the crystal structure, mol-ecules are linked into chains running parallel to the c axis by inter-molecular C-H⋯N hydrogen-bonding inter-actions.

| S-EPMC2969042 | biostudies-literature

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