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5-(4-Fluoro-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

ABSTRACT: The title compound, C(13)H(11)FO(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 4-fluoro-benz-alde-hyde in ethanol. The 1,3-dioxane ring adopts an envelope conformation. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Zeng WL

PROVIDER: S-EPMC3008134 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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5-(4-Fluoro-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Zeng Wu-Lan WL

Acta crystallographica. Section E, Structure reports online 20100821 Pt 9

The title compound, C(13)H(11)FO(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 4-fluoro-benz-alde-hyde in ethanol. The 1,3-dioxane ring adopts an envelope conformation. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21588707

Similar Datasets

5-(2-Fluoro-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:The title compound, C(13)H(11)FO(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2-fluoro-benzaldehyde in ethanol. In the crystal structure, mol-ecules are linked into chains by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2970368 | biostudies-literature

5-(3,4-Dimethyl-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:The title compound, C(15)H(16)O(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 3,4-dimethyl-benzaldehyde in ethanol. The 1,3-dioxane ring exhibits an envelope conformation. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds, forming chains parallel to the b axis.

| S-EPMC3120337 | biostudies-literature

5-(4-Hy-droxy-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:The title compound, C(13)H(12)O(5), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 4-hy-droxy-benz-alde-hyde in ethanol. The 1,3-dioxane ring is in a distorted boat conformation. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(20) rings.

| S-EPMC3007919 | biostudies-literature

2,2-Dimethyl-5-(2-nitro-benzyl-idene)-1,3-dioxane-4,6-dione.

Project description:The asymmetric unit of the title compound, C13H11NO6, contains two mol-ecules in both of which the six-membered 1,3-dioxane-4,6-dione ring shows a screw-boat conformation. The dihedral angles between the best planes through the six-membered rings are 47.8?(2) and 49.8?(2)°. In the crystal, C-H?O inter-actions link the mol-ecules, building a supramolecular sheet parallel to the c axis.

| S-EPMC3588381 | biostudies-other

2,2-Dimethyl-5-(2,3,4-trimeth-oxy-benzyl-idene)-1,3-dioxane-4,6-dione.

Project description:The title compound, C(16)H(18)O(7), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2,3,4-trimeth-oxy-benzaldehyde. The 1,3-dioxane ring is in a slightly distorted boat conformation. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3212324 | biostudies-other

Crystal structure of 5-[4-(di-ethyl-amino)-benzyl-idene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:The title compound, C17H21NO4, consists of substituted Meldrum's acid with a [4-(di-ethyl-amino)-phen-yl]methyl-idene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the mol-ecule. This leads to the formation of C-H⋯O-type intra-molecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C-H⋯O inter-actions, which associate the mol-ecules into inversion dimers.

| S-EPMC4647437 | 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

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

(E)-2,2-Dimethyl-5-(3-phenyl-allyl-idene)-1,3-dioxane-4,6-dione.

Project description:The title compound, C(15)H(14)O(4), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and (Z)-3-phenyl-acryl-aldehyde in ethanol. The dioxane ring is in a sofa conformation with the C atom bonded to the two methyl groups forming the flap. With the exception of the flap atom and the methyl group C atoms, all other non-H atoms are essentially planar, with an r.m.s. deviation of 0.067?(1)?Å. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3009221 | 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

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