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8-Meth-oxy-3-(4-methyl-benzyl-idene)-6-(prop-1-en-yl)chroman-4-one.

ABSTRACT: In the title compound, C(21)H(20)O(3), the tolyl ring makes a dihedral angle of 31.11 (6)° with the benzene ring of the chromanone unit. The pyrone ring adopts a half-chair conformation. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action and the crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions and a C-H⋯π inter-action.

SUBMITTER: Marx A

PROVIDER: S-EPMC2914988 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(3-Meth-oxy-benzyl-idene)chroman-4-one.

Project description:In the title compound, C(17)H(14)O(3), the dihedral angle between the meth-oxy-benzene unit and the benzene ring of the chromanone system is 64.12 (3)°. The crystal structure is stabilized by weak C-H⋯O inter-actions.

| S-EPMC3343972 | biostudies-literature

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⋯π 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).

| S-EPMC3569780 | biostudies-literature

(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⋯π inter-actions are also observed.

| S-EPMC3998458 | biostudies-literature

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.

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.

| S-EPMC3393938 | biostudies-literature

8-Eth-oxy-3-(4-isopropyl-benzyl-idene)-6-methyl-chroman-4-one.

Project description:In the title compound, C(22)H(24)O(3), the non-fused benzene ring makes a dihedral angle of 52.56 (7)° with the benzene ring of the chromanone unit. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action and the crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions. The isopropyl group is disordered over two positions, with site occupancies of 0.48/0.52.

| S-EPMC2915370 | biostudies-literature

(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⋯π inter-action and two weak π-π 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)].

| S-EPMC3998471 | biostudies-literature

N'-[Bis(benzyl-sulfan-yl)methyl-idene]-4-meth-oxy-benzohydrazide.

Project description:In the title compound, C(23)H(22)N(2)O(2)S(2), the dihedral angles between the 4-meth-oxy-substituted phenyl ring and the other two phenyl rings are 84.4?(4) and 77.7?(1)°, respectively, while the dihedral angle between the two phenyl rings is 57.5?(2)°. The amino group is not involved in an N-H hydrogen bond. The crystal packing is established by inter-molecular C-H?O packing inter-actions involving a relatively rare weak three-center hydrogen bond between the keto O atom and H atoms of the two nearby phenyl rings, which link the mol-ecules into chains running along the a axis. Additional weak inter-molecular hydrogen-bond inter-actions between the 4-meth-oxy O atom and one of the phenyl rings and provide added stability to the crystal packing.

| S-EPMC3007250 | biostudies-literature

(2E)-3-(6-Meth-oxy-naphthalen-2-yl)-1-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one.

Project description:The asymmetric unit of the title compound, C(21)H(18)O(2)S, consists of two crystallographically independent mol-ecules (A and B). The mol-ecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (mol-ecule A) and 52.69 (12)° (mol-ecule B) with the benzene ring. In mol-ecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in mol-ecule B. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C-H⋯π inter-actions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16).

| S-EPMC3394057 | biostudies-literature

7-Meth-oxy-3-(4-meth-oxy-phen-yl)chroman-4-one.

Project description:The asymmetric unit of the title compound, C(17)H(16)O(4), contains two crystallographically independent mol-ecules with different absolute configurations.

| S-EPMC3274945 | biostudies-literature

1-(2-Hy-droxy-4-meth-oxy-phen-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C(17)H(16)O(3), exists in the E conformation with respect to the central C=C bond, is almost planar(r.m.s. deviation = 0.003?Å) and has an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules are linked by C-H?O inter-actions.

| S-EPMC3100019 | biostudies-literature

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