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(3S,4S,5R)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

ABSTRACT: The relative configuration of the title compound, C(11)H(18)O(3), was corroborated by single-crystal X-ray diffraction analysis. In the crystal, mol-ecules are linked via a O-H?O hydrogen bond and a chain of mol-ecules is formed along [010].

SUBMITTER: Gille A

PROVIDER: S-EPMC2968068 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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(3S,4S,5R)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

Gille Annika A Bläser Dieter D Boese Roland R Preut Hans H Hiersemann Martin M

Acta crystallographica. Section E, Structure reports online 20081217 Pt 1

The relative configuration of the title compound, C(11)H(18)O(3), was corroborated by single-crystal X-ray diffraction analysis. In the crystal, mol-ecules are linked via a O-H⋯O hydrogen bond and a chain of mol-ecules is formed along [010]. ...[more]

PMID: 21581612

Similar Datasets

(3S,4S,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

Project description:The title compound, C(11)H(18)O(3), was synthesized to prove the relative configuration of the corresponding acyclic C1-C8 stereopentade. Mol-ecules are linked via O-H?O hydrogen bonds, forming a chain along the b axis.

| S-EPMC2960667 | biostudies-literature

(3R,4S,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]tetra-hydro-furan-2-one.

Project description:The title compound, C(11)H(18)O(3), was synthesized to prove the relative configuration of the corresponding acyclic C1-C8 stereopentade. It crystallizes with two mol-ecules in the asymmetric unit, which show only slight differences. The mol-ecules are linked via O-H?O hydrogen bonds, resulting in two crystallographically independent chains of mol-ecules propagating in the a-axis direction. The absolute configuration was known from the synthesis.

| S-EPMC2962143 | biostudies-literature

(3R,4R,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

Project description:The relative configuration of the title compound, C(11)H(18)O(3), which was synthesized using a catalytic asymmetric Gosteli-Claisen rearrangement, a diastereoselective reduction with K-Selectride and an Evans aldol addition, was corroborated by single-crystal X-ray diffraction analysis. The five-membered ring has an envelope conformation with a dihedral angle of 29.46 (16)° between the coplanar part and the flap (the hydr-oxy-bearing ring C atom). In the crystal, mol-ecules are connected via bifurcated O-H⋯(O,O) hydrogen bonds, generating [010] chains.

| S-EPMC2971977 | biostudies-literature

Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth-oxy-carbonyl-2-(2-methyl-phen-yl)pyrrolidine-3-carbon-yl]-5-(2-methyl-phen-yl)pyrrolidine-2,4-di-carboxyl-ate.

Project description:The title compound, C38H50N2O7, represents a chiral β-proline dipeptide. Corresponding stereogenic centres of constituting pyrrolidine units have opposite absolute configurations. The central amide fragment is planar within 0.1 Å and adopts a Z configuration along the N-CO bond. In the crystal, the hydrogen atoms of the methyl-ene groups form several short inter-molecular C-H⋯O contacts with the carbonyl oxygen atoms of an adjacent mol-ecule. The only active amino hydrogen atom is not involved in hydrogen bonding.

| S-EPMC6505609 | biostudies-literature

(2R,3R,4S,5R)-2-(4-Amino-5-iodo-7H-pyrrolo-[2,3-d]pyrimidin-7-yl)-5-methyl-tetra-hydro-furan-3,4-diol.

Project description:The mol-ecular structure of the title compound, C11H13IN4O3, shows a ribo-furanos-yl-pyrrolo O-C-N-C torsion angle of 59.1?(3)°, with the central C-N bond length being 1.446?(3)?Å. The C-I bond length is 2.072?(2)?Å. The amino group is coplanar with the attached aromatic ring [C-N-C-N torsion angle = -178.8?(2)°] and forms an intra-molecular N-H?I hydrogen bond. In the crystal, O-H?N and N-H?O hydrogen bonds link the mol-ecules into puckered layers parallel to (001). These layers are bound to each other by secondary I?O inter-actions [3.2250?(17)?Å], forming a three-dimensional framework.

| S-EPMC3884313 | biostudies-literature

5-{(2S,3R,4S,5S,6R)-3,4-Dihydr-oxy-6-hydroxy-meth-yl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydr-oxy-6-methyl-tetra-hydro-pyran-2-yloxy]tetra-hydro-pyran-2-yloxy}--7-hydr-oxy-2-(4-hydroxy-phen-yl)chromen-4-one monohydrate.

Project description:In the title compound, C(27)H(30)O(14)·H(2)O, the hydroxy-phenyl ring makes a dihedral angle of 20.05?(11)° with the chromenone ring system. The crystal structure is stabilized by intra- and inter-molecular O-H?O hydrogen bonds. The absolute configuration was assigned on the basis of an analagous structure.

| S-EPMC2959284 | biostudies-literature

3-(2-Hydr-oxy-5-methyl-anilino)isobenzo-furan-1(3H)-one.

Project description:In the mol-ecule of the title compound, C(15)H(13)NO(3), the phthalide ring system is virtually planar, with a dihedral angle of 1.98?(3)° between the fused five- and six-membered rings. The substituted aromatic ring is oriented at a dihedral angle of 57.50?(3)° with respect to the phthalide ring system. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC2961204 | biostudies-literature

2-Amino-9-[(1S,3R,4S)-4-hydr-oxy-3-hydroxy-methyl-2-methyl-enecyclo-pent-yl]-1,9-dihydro-6H-purin-6-one monohydrate.

Project description:In the crystal of the title compound, C(12)H(15)N(5)O(3)·H(2)O, the component species are linked by N-H?N, N-H?O, O-H?N and O-H?O hydrogen bonds, forming a three-dimesnional network.

| S-EPMC2969881 | biostudies-other

(9H-Fluoren-9-yl)methyl N-{(2R,3R,4S)-4-hy-droxy-2-[(2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yloxy]-5-oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate.

Project description:The title compound, C(29)H(35)NO(6).0.334C(3)H(8)O, a novel chiral N-(fluoren-9-yl-methyl-oxyxcarbon-yl) precursor, crystallizes with two independent carbamate (M) mol-ecules and propan-2-ol solvent mol-ecules in the unit cell. Its crystal structure has been determined from barely adequate data obtained from a multi-fragment needle crystal. In the crystal, N-H?O hydrogen bonds link M mol-ecules related by translation along the a axis into two independent chains. The ordered solvent mol-ecule, having a partial occupancy of 0.334, is attached to one independent M mol-ecule through O-H?O hydrogen bonds. The crystal packing exhibits weak inter-molecular C-H?O inter-actions and voids of 270?Å(3) filled with randomly disordered solvent mol-ecules which were handled using the SQUEEZE methodology.

| S-EPMC3275078 | biostudies-literature

(1S,3S,4S)-tert-Butyl N-[1-benzyl-3-hydr-oxy-5-phenyl-4-(picolinamido)pent-yl]carbamate.

Project description:The title compound, C(29)H(35)N(3)O(4), was obtained by the reaction of (2S,4S,5S)-tert-butyl N-(4-amino-1-benzyl-3-hydr-oxy-5-phenyl-pent-yl)carbamate and picolinic acid using oxalyl chloride as a chlorinating reagent to activate the carboxyl group. In the crystal structure there are two mol-ecules in the asymmetric unit, which are aligned edge-to-face. In one mol-ecule, the pyridyl ring forms a dihedral angle of 22.0?(1)° with the phenyl ring of the terminal benzyl group and 14.3?(1)° with the other phenyl ring; in the other mol-ecule, the corresponding angles are 12.1?(1) and 10.6?(1)°, respectively. The packing is stabilized by inter-molecular hydrogen bonds and C-H?? inter-actions.

| S-EPMC2961835 | biostudies-other

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