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{5-Methyl-1-[8-(trifluoro-meth-yl)quinolin-4-yl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone.

ABSTRACT: In the title mol-ecule, C(18)H(16)F(3)N(5)O(2), the dihedral angle between the pyridine ring and the fused benzene ring is 4.50 (10)°. The triazole ring makes dihedral angles of 54.48 (12) and 57.91 (11)° with the pyridine and benzene rings, respectively. The morpholine ring atoms are disordered over two positions; the site-occupancy factors are ca 0.53 and 0.47. Inter-molecular C-H⋯F hydrogen bonding is found in the crystal structure. Furthermore, C-H⋯O and C-H⋯N intra-molecular contacts are also present.

SUBMITTER: Anuradha N

PROVIDER: S-EPMC2959961 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-{1-[2,8-Bis(trifluoro-meth-yl)-4-quin-olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(10)F(6)N(4)O. The triazole ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes being 74.47 (12) and 63.97 (13)° in the two mol-ecules. The crystal structure is characterized by inter-molecular C-H⋯F, C-H⋯N and C-H⋯O hydrogen bonding. Weak intra-molecular C-H⋯F inter-actions are observed. Disorder is observed in two F atoms of one of the trifluoro-methyl groups of one independent mol-ecule [occupancy ratios 0.77 (3):0.23 (3) and 0.77 (4):0.23 (4)] and in all three F atoms of one of the trifluoro-methyl groups of the second independent mol-ecule [occupancy ratios 0.520 (14):0.480 (14), 0.615 (17):0.385 (17) and 0.783 (11):0.217 (11)]. The O atom is also disordered over two positions with occupancies of 0.60 (13) and 0.40 (13) in the first mol-ecule.

| S-EPMC2983247 | biostudies-literature

Ethyl 4-{[1-(2,4-dichloro-benz-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}-8-(trifluoro-meth-yl)quinoline-3-carboxyl-ate.

Project description:In the title compound, C(23)H(17)Cl(2)F(3)N(4)O(3), the triazole ring makes dihedral angles of 50.27?(6) and 82.78?(7)° with the quinoline ring system and the dichloro-substituted benzene ring. The dihedral angle between the quinoline and dichloro-substituted benzene rings is 38.17?(4)°. In the crystal, mol-ecules are linked via C-H?N, C-H?F and C-H?O hydrogen bonds into a three-dimensional network. The crystal is further consolidated by C-H?? contacts to the triazole ring and inversion-related ?-? inter-actions between the benzene and pyridine rings of quinoline systems [centroid-centroid distance = 3.7037?(7)?Å].

| S-EPMC3470374 | biostudies-literature

4-{[1-(4-Ethoxy-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]diphenyl-meth-yl}morpholine.

Project description:The title compound, C(28)H(30)N(4)O(2), synthesized from 4-[1-(4-ethoxy-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]diphenyl-meth-an-ol and morpholine, consists of a subsituted triazolyl group and a morpholinyl group that crowd the aliphatic C atom of a diphenyl-methyl unit [C(triaz)-C-N(morph) = 110.1 (1)° and C(phen-yl)-C-C(phen-yl) = 103.9 (1)°]. The morpholine ring adopts a chair conformation.

| S-EPMC2961387 | biostudies-literature

1-{1-[(2-Chloro-thia-zol-5-yl)meth-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone.

Project description:In the title compound, C(9)H(9)ClN(4)OS, the two rings enclose a dihedral angle of 84.67?(11)°. Inter-molecular C-H?O and C-H?N hydrogen bonds stabilize the crystal packing.

| S-EPMC2971258 | biostudies-literature

Methyl 2-{[2,8-bis-(trifluoro-meth-yl)quinolin-4-yl]-oxy}acetate.

Project description:In the crystal structure of the title compound, C(14)H(9)F(6)NO(3), mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds. The best planes through the benzene and pyridyl rings make a dihedral angle of 1.59 (12)°.

| S-EPMC3051653 | biostudies-literature

Crystal structure analysis of [5-(4-meth-oxy-phen-yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio-phen-2-yl)methanone.

Project description:The title compound, C15H13N3O2S, crystallizes in the monoclinic space group P21/n and its mol-ecular conformation is stabilized via intra-molecular C-H?O and C-H?N contacts. The supra-molecular structure is mainly governed by C-H?N hydrogen-bonded centrosymmetric dimers, C-H?O and C-H?S hydrogen bonds and S?? and ?-? stacking inter-actions which, together, lead to the formation of a layered crystal packing. The inter-molecular inter-actions were further evaluated through the mol-ecular electrostatic potential map and Hirshfeld fingerprint analysis.

| S-EPMC6073004 | biostudies-literature

{4-[(2,4-Dichloro-benzo-yloxy)meth-yl]-1-phenyl-1H-1,2,3-triazol-5-yl}methyl 2,4-dichloro-benzoate.

Project description:In the title molecule, C(24)H(15)Cl(4)N(3)O(4), the triazole ring makes dihedral angles of 72.02?(12), 81.60?(12) and 73.82?(11)°, respectively, with the adjacent phenyl ring and the two dichloro-benzene rings. In the crystal, a weak C-H?N inter-action, a short Cl?Cl contact [3.307?(2)?Å] and a ?-? stacking inter-action [centroid-centroid distance = 3.568?(4)?Å] are observed. An intra-molecular C-H?O inter-action is also present.

| S-EPMC3201422 | biostudies-literature

Ethyl 4-({1-[2-(4-bromo-phen-yl)-2-oxo-eth-yl]-1H-1,2,3-triazol-4-yl}meth-oxy)-8-(trifluoro-meth-yl)quinoline-3-carboxyl-ate.

Project description:The title compound, C24H18BrF3N4O4, is a 1,2,3-triazole derivative featuring, among others, a quinoline-derived substituent. In the crystal, C-H⋯O, C-H⋯N and C-H⋯F contacts connect the mol-ecules into a three-dimensional network. The shortest centroid-centroid distance between two aromatic systems is 3.896 (2) Å and is found between the two different six-membered rings of the quinoline scaffold in neighbouring mol-ecules.

| S-EPMC3588982 | biostudies-literature

(5-Benzoyl-2-methyl-4-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}-1-benzofuran-7-yl)(phen-yl)methanone.

Project description:The crystal structure of the title compound, C(31)H(22)N(4)O(4), features weak C-H?O inter-actions. The dihedral angle between the fused benzene and furan rings is 2.49?(15)°, while that between the triazole and pyridine rings is 10.23(18)°.

| S-EPMC3379472 | biostudies-other

1-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-yl]indoline-2,3-dione.

Project description:In the title compound, C18H14N4O2, the triazole ring makes dihedral angles of 77.32?(8) and 75.56?(9)°, respectively, with the indoline residue and the terminal phenyl group. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds into tapes parallel to the b axis. The tapes are linked together by ?-? inter-actions between triazole rings [inter--centroid distance = 3.4945?(9)?Å].

| S-EPMC4011308 | biostudies-literature

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