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2-Phenyl-4-(3,4,5-trimethoxy-benzyl-idene)-1,3-oxazol-5(4H)-one.

ABSTRACT: The title compound, C(19)H(17)NO(5), was synthesized as part of a continuing project involving the structures of oxazolone derivatives. The mol-ecule adopts a Z configuration about the central olefinic bond. The 2-phenyl ring is slightly twisted out of the plane of the oxazolone ring system by 11.2 (2)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Sun YF

PROVIDER: S-EPMC2960957 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(4Z)-4-Benzyl-idene-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:In the title compound, C(17)H(13)NO(2), the benzene ring is twisted slightly out of the plane of the oxazole ring to which it is attached [dihedral angle = 7.98 (8)°]. Similarly, there is a twist [dihedral angle = 5.50 (8)°] between the oxazole and phenyl rings that are linked via the C=C bond [1.348 (2) Å]; the conformation about the latter is Z. In the crystal, the presence of C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5259 (9) Å] link the mol-ecules into a three-dimensional architecture.

| S-EPMC3344097 | biostudies-literature

4-(2-Methoxy-benzyl-idene)-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:The title mol-ecule, C(17)H(13)NO(3), adopts a Z configuration about the central olefinic bond. The 2-phenyl ring is almost coplanar with the plane of the oxazolone ring system, making a dihedral angle of 2.03 (11)°. The crystal structure is stabilized by π-π inter-actions between the oxazolone ring and phenyl ring of a neighbouring mol-ecule [centroid-centroid distance = 3.550 (3)Å], and by two weak inter-molecular C-H⋯π inter-actions. In addition, the crystal structure exhibits one weak intra-molecular C-H⋯N hydrogen bond.

| S-EPMC2968875 | biostudies-literature

(E)-4-(2,5-Dimethoxy-benzyl-idene)-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:The central aza-lactone ring in the title compound, C(18)H(15)NO(4), is planar (r.m.s. deviation 0.05, 0.12?Å) in both independent mol-ecules comprising the asymmetric unit. The benzyl-idene substituent is coplanar with this ring [dihedral angle between the planes = 1.8?(1)° in the first mol-ecule and 2.8?(1)° in the second], as is the phenyl substitutent [dihedral angle between rings = 4.6?(1) and 9.7?(1)°, respectively].

| S-EPMC2977274 | biostudies-literature

4-[(3-Meth-oxy-anilino)methyl-idene]-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:In the title compound, C(17)H(14)N(2)O(3), the oxazolone ring is essentially planar [maximum deviation = 0.004 (1) Å] and is oriented with respect to the phenyl and benzene rings at 10.06 (9) and 5.63 (8)°, respectively; the dihedral angle between the phenyl ring and the benzene ring is 15.69 (8)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis. Neighbouring chains are inter-connected by π-π stacking, the centroid-centroid distance being 3.6201 (9) Å.

| S-EPMC3343974 | biostudies-literature

Ortho-rhom-bic modification of (E)-4-benzyl-idene-2-phenyl-1,3-oxazol-5(4H)-one: whole mol-ecule disorder.

Project description:The title mol-ecule, C(16)H(11)NO(2), is disordered about a pseudo-twofold rotation axis that approximately bis-ects the mol-ecule along the C=O double bond. The two overlapping components are planar [r.m.s. deviation = 0.10?Å in the major 0.537?(4) component and 0.07?Å in the minor component]. The two components are aligned at 1.8?(3)°.

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4-Chloro-N-(3,4,5-trimethoxy-benzyl-idene)aniline.

Project description:The title compound, C(16)H(16)ClNO(3), is a Schiff base displaying a trans configuration of the C=N double bond. In the crystal structure, inter-molecular C-H?N and bifurcated C-H?(O,O) hydrogen bonds are observed.

| S-EPMC2968176 | biostudies-literature

4-Bromo-N-(3,4,5-trimethoxy-benzyl-idene)aniline.

Project description:The title compound, C(16)H(16)BrNO(3), adopts an E configuration with respect to the imine C=N bond. The two benzene rings are twisted with respect to each other at an angle of 38.3?(1)°. In the crystal structure, mol-ecules are connected by weak bifurcated C-H?(O, O) hydrogen bonds, forming a helical chain along the b axis.

| S-EPMC2968382 | biostudies-literature

(E)-Methyl N'-(3,4,5-trimethoxy-benzyl-idene)hydrazinecarboxyl-ate.

Project description:The mol-ecule of the title compound, C(12)H(16)N(2)O(5), adopts a trans configuration with respect to the C=N double bond. The dihedral angle between the benzene and hydrazinecarboxylic acid methyl ester planes is 12.55?(7)°. The mol-ecules are linked into a chain along [001] by inter-molecular N-H?O hydrogen bonds, and the chains are cross-linked into a two-dimensional zigzag structure by C-H?O hydrogen bonds.

| S-EPMC2959621 | biostudies-literature

(E)-N'-(2-Hydroxy-benzyl-idene)-3,4,5-trimethoxy-benzohydrazide.

Project description:The title compound, C(17)H(18)N(2)O(5), was synthesized from 3,4,5-trimethoxy-benzohydrazide and 2-hydroxy-benzaldehyde. The dihedral angle between the planes of the two benzene rings is 29.9?(2)°. The crystal structure involves intra-molecular O-H?N, and inter-molecular N-H?O and C-H?O hydrogen bonds.

| S-EPMC2961635 | biostudies-literature

(E)-Ethyl N'-(3,4,5-trimethoxy-benzyl-idene)hydrazinecarboxyl-ate.

Project description:The mol-ecule of the title compound, C(13)H(18)N(2)O(5), adopts a trans configuration with respect to the C=N bond. The dihedral angle between the benzene ring and the hydrazinecarboxylic acid plane is 49.75?(5)° and an intra-molecular C-H?O inter-action occurs. In the crystal structure, the mol-ecules are linked into a chain along [010] by N-H?O hydrogen bonds, and a C-H?? contact further stabilizes the structure.

| S-EPMC2959716 | biostudies-literature

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