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2,2-Dimethyl-5-(1-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

ABSTRACT: The benzyl ring of the title compound, C(17)H(15)NO(4), is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)°. The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Å out of the plane through the remainder of the ring. An intra-molecular N-H⋯O hydrogen bond may contribute to the stabilization of the planar conformation of the mol-ecule. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds occur.

SUBMITTER: Li Z

PROVIDER: S-EPMC2969915 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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2,2-Dimethyl-5-(1-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Li Zhi Z Li Rui R Ding Zhen-Yu ZY

Acta crystallographica. Section E, Structure reports online 20090829 Pt 9

The benzyl ring of the title compound, C(17)H(15)NO(4), is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)°. The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Å out of the plane through the remainder of the ring. An intra-molecular N-H⋯O hydrogen bond may contribute to the stabilization of the planar conformation of the mol-ecule. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds occur. ...[more]

PMID: 21577681

Similar Datasets

2,2-Dimethyl-5-(2-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:There are two unique mol-ecules in the asymmetric unit of the title compound, C(17)H(15)NO(4), which are linked into chains via inter-molecular N-H⋯O and C-H⋯O inter-actions; the chains are linked via weak C-H⋯O inter-actions, forming a parallel sheet structure. The molecule is approximately planar, with dihedral angles of 19.91 (4) and 11.06 (4)° between the naphthyl ring and the amino-methyl-ene group, and between the amino-methyl-ene unit and the planar part of the dioxane ring, respectively. The dioxane ring adopts a half-boat conformation, with the C atom between the dioxane O atoms 0.595 (8) Å out of the plane through the remaining atoms. The mol-ecule has an intra-molecular N-H⋯O hydrogen bond which stabilizes the planar conformation.

| S-EPMC2970245 | biostudies-literature

2,2-Dimethyl-5-[(3-nitro-anilino)methyl-ene]-1,3-dioxane-4,6-dione.

Project description:The benzene ring of the title compound, C(13)H(12)N(2)O(6), is twisted away from the planes of the amino-methyl-ene unit and the dioxane ring by 30.13 (4) and 35.89 (4)°, respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.553 (8) Å out-of-plane. An intra-molecular N-H⋯O hydrogen bond stabilizes the conformation of the dioxane ring with the amino-methyl-ene group [the dihedral angle between the mean planes of the dioxane ring and the amino-methyl-ene group is 11.61 (4)°]. In the crystal, a three-dimensional framework is built via weak inter-molecular N-H⋯O and C-H⋯O inter-actions.

| S-EPMC2970156 | biostudies-literature

5,5'-[(2,4-Dichloro-phen-yl)methyl-ene]bis-(2,2-dimethyl-1,3-dioxane-4,6-dione).

Project description:The title compound, C(19)H(18)Cl(2)O(8), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2,4-dichloro-benzaldehyde in ethanol. The two 1,3-dioxane rings exhibit boat conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds, forming chains parallel to the a axis.

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5-(4-Bromo-anilinomethyl-ene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(13)H(12)BrNO(4), the dihedral angles between the amino-methyl-ene group and the dioxane ring and between the benzyl ring and the amino-methyl-ene unit are 7.96 (4) and 12.15 (4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460 (8) Å out of the plane through the remaining ring atoms. An intra-molecular N-H⋯O hydrogen bond may stabilize the planar conformation of the mol-ecule. An inter-molecular C-H⋯O inter-action is also present.

| S-EPMC2970495 | biostudies-literature

5-(4-Chloro-anilinomethyl-ene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:The title compound, C(13)H(12)ClNO(4), is approximately planar, with a dihedral angle of 8.23?(4)° between the mean plane of the amino-methyl-ene unit and the planar part of the dioxane ring. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is -0.464?(8)?Å out of the plane of the other five atoms. In the mol-ecule there is an intra-molecular N-H?O hydrogen bond, involving the NH H atom and the adjacent dioxane carbonyl O atom. In the crystal, weak intermolecular C-H?O hydrogen-bonding contacts, result in the formation of sheets parallel to the ab plane.

| S-EPMC2969334 | biostudies-literature

2,2-Dimethyl-5-[(pyridin-2-yl-amino)-methyl-idene]-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(12)H(12)N(2)O(4), the dihedral angle between the pyridine and enamine planes is 3.5 (3)°, while the angle between the dioxanedione (seven atoms) and enamine planes is 4.6 (3)°. The dioxane ring approximates an envelope conformation.

| S-EPMC3051715 | biostudies-literature

2,2-Dimethyl-5-{[(4-nitro-phen-yl)amino]-methyl-idene}-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(13)H(12)N(2)O(6), the dihedral angle between the benzene ring and the amino-methyl-ene unit is 5.42?(16)°, while the angle between the amino-methyl-ene unit and the dioxane ring is 3.06?(43)°. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.464?(10)?Å out of the plane. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, a three-dimensional framework is built up via inter-molecular N-H?O hydrogen bonds.

| S-EPMC3051475 | biostudies-literature

5-[(3,4-Dimethoxy-benzyl)-aminomethyl-ene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:The title compound, C(15)H(17)NO(6), is approximately planar, with dihedral angles of 3.11 (4) and 2.12 (4)° between the connecting amino-methyl-ene unit and the planar part of the dioxane ring, and between the dimethoxy-benzyl ring and the amino-methyl-ene group, respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.5471 (8) Å out of the plane. The mol-ecule has an intra-molecular N-H⋯O hydrogen bond which may stabilize the planar conformation. In the crystal, weak inter-molecular C-H⋯O hydrogen-bonding contacts, result in the formation of sheets parallel to the ab plane.

| S-EPMC2969602 | biostudies-literature

5-[(4-Acetyl-phenyl)-aminomethyl-ene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(15)H(15)NO(5), the six-membered dioxane ring assumes an envelope conformation with the dimethyl substituted C atom as the flap atom. An intra-molecular N-H⋯O inter-action is also present. In the crystal structure the mol-ecules are linked via C-H⋯O hydrogen bonds into supra-molecular chains along the b axis.

| S-EPMC2969769 | biostudies-literature

2,2-Dimethyl-5-[(2-nitro-anilino)methyl-idene]-1,3-dioxane-4,6-dione.

Project description:The crystal of the title compound, C(13)H(12)N(2)O(6), contains a bifurcated intra-molecular hydrogen bond between the N-H group and one of the O atoms from both the nitro group and the dioxane-4,6-dione moiety. In addition, mol-ecules are linked by a series of inter-molecular C-H⋯O secondary inter-actions. The dihedral angles between the benzene ring and the nitro group and the conjugated part of the dioxane-4,6-dione moiety are 19.1 (2) and 17.89 (7)°, respectively.

| S-EPMC3089138 | biostudies-literature

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