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(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxy-propanoate.

ABSTRACT: In the title compound, C(10)H(16)O(6), the five-membered ring has an envelope conformation. The packing involves hydrogen-bonded carboxylic acid inversion dimers and three C-H?O inter-actions.

SUBMITTER: Kus P

PROVIDER: S-EPMC2969742 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxy-propanoate.

Kuś Piotr P Rojkiewicz Marcin M Zięba Grzegorz G Witoszek Monika M Jones Peter G PG

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the title compound, C(10)H(16)O(6), the five-membered ring has an envelope conformation. The packing involves hydrogen-bonded carboxylic acid inversion dimers and three C-H⋯O inter-actions. ...[more]

PMID: 21583064

Similar Datasets

(S)-3-Dimethyl-amino-2-{(4S,5R)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-hydroxy-propanoic acid.

Project description:The Kiliani reaction on 1-de-oxy-(N,N-dimethyl-amino)-d-fructose, itself readily available from reaction of dimethyl-amine and d-glucose, proceeded to give access to the title ?-sugar amino acid, C(15)H(27)NO(7). X-ray crystallography determined the stereochemistry at the newly formed chiral center. There are two mol-ecules in the asymmetric unit; they are related by a pseudo-twofold rotation axis and have very similar geometries, differing only in the conformation of one of the acetonide rings. All the acetonide rings adopt envelope conformations; the flap atom is oxygen in three of the rings, but carbon in one of them. There are two strong hydrogen bonds between the two independent mol-ecules, and further weak hydrogen bonds link the mol-ecules to form infinite chains running parallel to the a axis.

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(R)-2-[(R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathio-lan-5-one.

Project description:In the title compound, C(8)H(12)O(4)S, the two five-membered rings both adopt envelope conformations. In the crystal, weak C-H?O inter-actions link neighbouring mol-ecules.

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2,2-Dimethyl-1,3-benzodioxol-4-yl N-methyl-carbamate.

Project description:In the title compound, C(11)H(13)NO(4), the two fused rings are almost coplanar, making a dihedral angle of 3.02?(8)°. In the crystal, chains are formed parallel to [010] through N-H?O hydrogen bonds between the amine and carbonyl groups.

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Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)meth-yl]-2-(thia-zol-4-yl)-1H-benzimidazole.

Project description:The benzimidazole ring in the title compound, C16H17N3O2S, is almost planar, with the greatest deviation from the mean plane being 0.032 (1) Å. The fused-ring system makes dihedral angles of 19.91 (7) and 24.51 (8)° with the best plane through each of the thia-zol-4-yl and 1,3-dioxolan-4-yl rings, respectively; the latter exhibits an envelope conformation with the methyl-ene C atom being the flap. Finally, the thia-zol-4-yl ring makes a dihedral angle of 33.85 (9)° with the 1,3-dioxolan-4-yl ring. In the crystal, mol-ecules are connected by a pair of C-H⋯π(imidazole) inter-actions to form centrosymmetric aggregates.

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(4R)-4-Benzyl-3-{(4S)-4-chloro-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]butano-yl}-1,3-oxazolidin-2-one.

Project description:The title compound, C(19)H(24)ClNO(5), was synthesized and subsequently employed in an Evans alkyl-ation. The purpose was to prove the absolute configuration in the projected synthesis of the side chain of (-)-Lytophilippine A. The oxazolidinone and the isopropylidene acetal rings have twisted conformations. The oxazolidinone and side-chain carbonyl groups are orientated in an anti-periplanar arrangement to minimize van der Waals repulsions. Furthermore, the Cl atom and the acetonide-protected secondary alcohol are also in an anti-periplanar arrangement with a torsion angle of 173.64?(14)°. The absolute configuration was determined and agrees with the configuration of the used chiral auxiliary.

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2,2'-Dimethyl-1,1'-[2,2-bis-(bromo-methyl)propane-1,3-di-yl]dibenzimidazole hemihydrate.

Project description:The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

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{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)-bis-(nitrilo-methyl-idyne)]-diphenolato}-dioxidomolybdenum(VI).

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

Project description:The asymmetric unit of the title compound, C(12)H(12)O(5), contains two independent mol-ecules. In each, the 1,3-dioxane ring adopts an envelope conformation with the dimethyl-substituted C atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3051482 | biostudies-literature

3-(1,3-Dioxolan-2-yl)-2-hydrazino-7-methyl-quinoline.

Project description:In the title mol-ecule, C(13)H(15)N(3)O(2), the dihedral angle between the mean plane of the 1,3-dioxolane group and the 2-hydrazino-7-methyl-isoquinoline unit is 85.21?(5)°. The conformation of the mol-ecule is influenced by bifurcated N-H?(O,O) and N-H?N intra-molecular hydrogen bonds. In the crystal structure, mol-ecules are linked via inter-molecular N-H?O hydrogen bonds, forming extended chains along [001].

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2-(2-Methyl-1,3-dioxolan-2-yl)-1,1-diphenyl-ethanol.

Project description:The mol-ecules of the title compound, C(18)H(20)O(3), display an intra-molecular O-H?O hydrogen bond between the hydr-oxy donor and a ketal O-atom acceptor. In the crystal, inter-molecular C-H?? inter-actions connect adjacent mol-ecules into chains parallel to the b axis.

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