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(E)-3-(9-Anthr-yl)-1-(4-chloro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(25)H(16)ClN(3)O, the anthryl and chloro-phenyl substituents are on opposite sides of the triazole ring. The anthryl and benzene mean planes are aligned at 83.35 (2) and 89.09 (2)°, respectively, with respect to the triazole ring.

SUBMITTER: Wang GZ

PROVIDER: S-EPMC2971099 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(Z)-1,3-Bis(4-chloro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(17)H(11)Cl(2)N(3)O, the C=C bond connecting the triazole and 4-chloro-phenyl groups adopts a Z geometry. The dihedral angles formed by the triazole ring and the 4-chloro substituted benzene rings are 67.3?(1) and 59.1?(1)°. The dihedral angle between the two benzene rings is 73.5?(1)°.

| S-EPMC3344571 | biostudies-literature

(Z)-3-(4-Chloro-phen-yl)-1-(2,4-difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:The asymmetric unit of the title compound, C(17)H(10)ClF(2)N(3)O, contains three independent mol-ecules. In each mol-ecule, the C=C bond has a cis conformation with respect to the triazole and chloro-phenyl groups. The dihedral angles formed by the triazole ring with the diflurophenyl and chloro-phenyl benzene rings, respectively, are 20.10?(14) and 73.22?(15), 25.31?(15) and 84.44?(15), and 16.44?(13) and 61.72?(14)° in the three mol-ecules while the dihedral angles between the benzene rings are 66.54?(13), 85.82?(12) and 58.37?(12)°.

| S-EPMC3379402 | biostudies-literature

(E)-3-(9-Anthr-yl)-1-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:The C=C double-bond in the title compound, C(25)H(16)FN(3)O, has an E configuration. The dihedral angle between the fluoro-phenyl and triazole rings is 80.57?(2)°.

| S-EPMC2971274 | biostudies-other

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

(Z)-1-(2,4-Difluoro-phen-yl)-3-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(17)H(10)F(3)N(3)O, the C=C bond connecting the triazole ring and 4-fluoro-phenyl groups adopts a Z conformation. The triazole ring forms dihedral angles of 15.3?(1) and 63.5?(1)°, with the 2,4-difluoro-substituted and 4-fluoro-substituted benzene rings, respectively. The dihedral angle between the two benzene rings is 51.8?(1)°.

| S-EPMC3344134 | biostudies-literature

(Z)-1-(2,4-Dimethyl-phen-yl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title compound, C(19)H(17)N(3)O, the triazole and benzene rings adopt a Z configuration with respect to the C=C bond. The phenyl and benzene rings form dihedral angles of 66.20?(9) and 14.36?(9)°, respectively, with the triazole ring. The dihedral angle between the phenyl and benzene rings is 52.64?(8)°.

| S-EPMC3275218 | biostudies-literature

(Z)-1-(2,4-Difluoro-phen-yl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(17)H(11)F(2)N(3)O, the triazole ring makes dihedral angles of 83.00?(5) and 16.63?(5)°, respectively, with the phenyl and benzene rings. Weak inter-molecular C-H?F and C-H?N inter-actions contribute to the crystal packing.

| S-EPMC2977445 | 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].

| S-EPMC3247327 | biostudies-literature

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

(2E)-3-(4-Chloro-phen-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C(13)H(10)ClNO, the benzene and pyrrole rings are oriented at a dihedral angle of 7.37?(12)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. There are C-H?? inter-actions between benzene and pyrrole rings and a benzene C-H group. A weak ?-? inter-action between the pyrrole rings [centroid-centroid distance 3.8515?(11)?Å] further stabilizes the structure. There is also a ? inter-action between the pyrrole ring and the carbonyl group, with a carbon-centroid distance of 3.4825?(18)?Å.

| S-EPMC2961151 | biostudies-literature

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