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(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

ABSTRACT: The asymmetric unit of the title compound, C(19)H(16)FN(3)O, contains two crystallographically independent mol-ecules. The triazole rings in both mol-ecules are essentially planar with maximum deviations of 0.002?(1) and 0.001?(1)?Å. The dihedral angles between the benzene and fluorophenyl rings are 79.36?(9) and 89.40?(10)° in the two molecules. In the crystal, the two independent mol-ecules are linked by C-H?N hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3201442 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

Fun Hoong-Kun HK Hemamalini Madhukar M Shanmugavelan Poovan P Ponnuswamy Alagusundaram A Jagatheesan Rathinavel R

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The asymmetric unit of the title compound, C(19)H(16)FN(3)O, contains two crystallographically independent mol-ecules. The triazole rings in both mol-ecules are essentially planar with maximum deviations of 0.002 (1) and 0.001 (1) Å. The dihedral angles between the benzene and fluorophenyl rings are 79.36 (9) and 89.40 (10)° in the two molecules. In the crystal, the two independent mol-ecules are linked by C-H⋯N hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by ...[more]

PMID: 22065516

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(2E)-3-(4-Fluoro-phen-yl)-1-[5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one.

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Project description:In the title compound, C(21)H(22)N(4)O(3), the triazole ring is planar [maximum deviaton = 0.004 (1) Å] and makes dihedral angles of 26.21 (8) and 38.66 (8)° with the two benzene rings. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming zigzag chains along [1-11]. In addition, a weak C-H⋯π intreraction is also observed.

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(E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}phen-yl)methanimine.

Project description:In the title compound, C20H18N4O3, the dihedral angles between the central benzene ring and the 1H-1,2,3-triazole ring and the fused benzene ring are 65.34?(19) and 3.64?(18)°, respectively. The dioxole ring adopts a shallow envelope conformation, with the methyl-ene C atom displaced by 0.156?(5)?Å from the other four atoms (r.m.s. deviation = 0.007Å). In the crystal, the mol-ecules are linked by C-H?O and C-H?N hydrogen bonds, generating a three-dimensional network.

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