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3,4-Dimeth-oxy-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)aniline.

ABSTRACT: 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.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC3393938 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(1-Methyl-eth-yl)-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)aniline.

Project description:In the title compound, C(22)H(24)N(4)O, the terminal and central benzene rings make dihedral angles of 52.7?(3) and 43.8?(2)°, respectively, with the triazole ring. The dihedral angle between the benzene rings is 8.9?(2)°. The crystal structure features C-H?? inter-actions. The atoms of the terminal propenyl group are disordered over two sets of sites, with a refined occupancy ratio of 0.714?(14):0.286?(14).

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(E)-Benz-yl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)amine.

Project description:The triazole ring of the title compound, C20H20N4O, is normal to the central benzene ring, making a dihedral angle of 90.0?(3)°, and forms a dihedral angle of 69.2?(3)° with the terminal phenyl ring. The dihedral angle between the phenyl and benzene rings is 88.2?(3)°. The atoms of the terminal propenyl group are disordered over two sets of sites, with a site-occupancy ratio of 0.663?(13):0.337?(13). In the crystal, C-H?N contacts lead to the formation of a layer structure extending parallel to (011). Two weak C-H?? inter-actions are also observed.

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

Project description:The title compound, C(19)H(20)O(5), is approximately planar; the dihedral angle between the benzene rings is 3.82?(8)°, and the central propenone C(=O)-C=C plane makes dihedral angles of 1.95?(10) and 3.17?(11)° with the two benzene rings. In the crystal structure, intra- and inter-molecular C-H?O hydrogen bonds are observed.

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(E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)morpholin-4-amine.

Project description:The asymmetric unit of the title compound, C17H21N5O2, contains two crystallographically independent mol-ecules, which are linked by a C-H?N hydrogen bond. The morpholine rings of both mol-ecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8?(3)° in the first independent molecule in which the -N=C- group between the morpholine and benzene rings is disordered [site-occupancy ratio = 0.576?(7):0.424?(7)] and 88.1?(2)° in the second independent mol-ecule. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds along the [100] direction. In addition, one weak C-H?? inter-action and two weak ?-? stacking inter-actions [centroid-centroid distances = 3.840?(3) and 3.823?(2)?Å] between the triazole rings of adjacent mol-ecules are observed. The atoms of the terminal propenyl groups in both mol-ecules are disordered over two sets of sites [site-occupancy ratios = 0.691?(10):0.309?(10) and 0.705?(15):0.295?(15)].

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Project description:The title compound, C(15)H(14)N(2)O(4), has two crystallographically independent mol-ecules in the asymmetric unit. In both mol-ecules, the nitro and the two meth-oxy substituents are coplanar with the benzene rings to which they are attached. The benzene rings are nearly coplanar, with dihedral angles between the two benzene rings of 10.39?(8) and 5.95?(8)° in the two mol-ecules. The two independent mol-ecules in the asymmetric unit are rotated with respect to each other such that the dihedral angles between equivalent benzene rings are 49.11?(8) and 63.93?(8)°. In the crystal structure, inter-molecular C-H?O hydrogen-bond contacts and a weak C-H?? inter-action are observed.

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3,4-Dimeth-oxy-N-(4-nitro-benzyl-idene)-aniline.

Project description:In the title mol-ecule, C(15)H(14)N(2)O(4), the dihedral angle between the two benzene rings is 29.52?(8)°. The nitro and two meth-oxy substituents are almost coplanar with their respective benzene rings. The crystal structure is stabilized by inter-molecular C-H?O inter-actions.

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2-(3,4-Dimeth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:In the title compound, C(26)H(24)N(2)O(2), the planar 1H-imidazole ring makes dihedral angles of 35.78?(4), 26.35?(5) and 69.75?(5)°, respectively, with the dimeth-oxy-phenyl ring and the phenyl rings in the 4- and 5-positions. In the crystal, C-H?O hydrogen bonds connect neighbouring mol-ecules, forming infinite chains running along the b axis. Furthermore, the crystal structure exhibits a C-H-?? inter-action between a methyl H atom and a phenyl ring from an adjacent mol-ecule.

| S-EPMC3470344 | biostudies-literature

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

Project description:The mol-ecular structure of the title compound, C(17)H(15)BrO(3), consists of a bromo-phenyl and a 3,4-dimeth-oxy-phenyl group linked through a prop-2-en-1-one spacer. The C=C double bond displays an E conformation, while the carbonyl group shows an S-cis conformation relative to the double bond.

| S-EPMC3297934 | biostudies-literature

(E)-1-(3,4-Dimeth-oxy-phen-yl)-3-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(18)H(18)O(3)S, the C=C double bond exists in an E configuration and the dihedral angle between the two benzene rings is 11.74?(8)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds. The crystal structure is also stabilized by weak C-H?? inter-actions.

| S-EPMC3200737 | biostudies-literature

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

Project description:In the title compound, C(15)H(12)Cl(2)O(3)S, the prop-2-en-1-one (enone) fragment is almost planar [C-C-C-O = 2.2?(4)°] and it subtends dihedral angles of 11.9?(2) and 11.0?(2)° with the thio-phene and benzene rings, respectively. The dihedral angle between the aromatic rings is 3.47?(16)°. In the crystal, weak C-H?O and C-H?Cl inter-actions link the mol-ecules, leading to R(2) (2)(14), R(2) (2)(24) and C(11) supra-molecular motifs occurring within the three-dimensional network. Weak aromatic ?-? stacking [centroid-centroid separations = 3.6823?(15) and 3.8722?(15)?Å] may also help to consolidate the packing.

| S-EPMC2983303 | biostudies-literature

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