Rac-Hydroxyisovaleric acid
Ontology highlight
ABSTRACT:
SUBMITTER: Dasi L
PROVIDER: S-EPMC10842285 | biostudies-literature | 2024 Jan
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:In the racemic title compound, C16H14O3, the ring of the 4-hy-droxy-benzyl substituent group forms a dihedral angle of 80.12 (12)° with the benzene ring of the chromanone system. Two C atoms of the pyran-one ring and the H atoms on the benzyl α-C atom are disordered over two sites, with site-occupation factors of 0.818 (8) and 0.182 (8). The crystal structure is stabilized by O-H⋯O hydrogen bonds, which form parallel one-dimensional zigzag chains down the c axis and are inter-connected by both methine C-H⋯O hydrogen bonds and weak aromatic C-H⋯π inter-actions, giving a sheet structure lying parallel to [011].
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Project description:The title compound, C(12)H(11)N(3)O(2), a hemiamidal, was synthesized by solvent-free aldol condensation at room temperature by grinding picolinamide with isonicotinaldehyde in a 1:1 molar ratio. In the mol-ecule, the two pyridine rings are inclined to one another by 58.75 (6)°. They are linked, at positions 2 and 4, by the hemiamidal bridge (-CO-NH-CHOH-). The NH-group H atom forms an intra-molecular hydrogen bond with the N atom of the picolinamide pyridine ring. In the crystal, symmetry-related mol-ecules are linked via N-H⋯O hydrogen bonds, involving the NH group H atom of the hemiamidal bridge and the hy-droxy O atom, forming inversion-related dimers, with graph-set R(2) (2)(8). Adjacent mol-ecules are also linked via O-H⋯N hydrogen bonds, involving the hy-droxy substituent and the 4-pyridine N atom. Together these inter-actions lead to the formation of double-stranded ribbon-like hydrogen-bonded polymers propagating in [010]. The latter are further connected via C-H⋯O hydrogen bonds involving the carbonyl O atom, so forming a two-dimensional network in (011).
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Project description:In the title compound, C(14)H(15)F(3)N(2)O(5), prepared by reaction of 2-hy-droxy-benzaldehyde, ethyl 4,4,4-trifluoro-3-oxobutano-ate and urea, the tetra-pyrimidine ring adopts a half-chair conformation. The crystal structure is stabilized by five inter-molecular hydrogen bonds, three O-H⋯O and two N-H⋯O, giving cyclic dimers (through three hydrogen bonds) which are further extended into a two-dimensional network.
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Project description:The title compound, C(21)H(29)NO(6), is chiral with three stereogenic centres. The crystal is a racemate and consists of enanti-omeric pairs with the relative configuration rac-(2R*,3S*,4R*). The ethyl fragment of the eth-oxy-carbonyl group at position 1 is disordered in a 0.60:0.40 ratio. The crystal packing displays inter-molecular O-H⋯O hydrogen bonding. An intra-molecular N-H⋯O hydrogen bond also occurs.
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Project description:The crystal structure of the title water-soluble analogue of vitamin E, trolox amide, C(14)H(19)NO(3), solved and refined against synchrotron diffraction data, contains two mol-ecules in the asymmetric unit. In both molecules, the heterocyclic ring is in a half-chair conformation. The crystal packing features a herring-bone pattern generated by N-H⋯O hydrogen bonds between the hy-droxy and amide groups. O-H⋯O hydrogen bonds also occur.
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Project description:In the title salt, C(20)H(24)FN(2)O(2) (+)·0.5C(4)H(2)O(4) (2-), the fumarate anion is located on an inversion centre. In the cation, the two benzene rings are nearly perpendicular to each other, making a dihedral angle of 87.41 (10)°. The cation is linked to the anion by a bifurcated N-H⋯O hydrogen bond. Classical O-H⋯O and weak C-H⋯F hydrogen bonding is also present in the crystal structure. Three C atoms of the N,N-dimethyl-butanaminium moiety are disordered over two sites with refined site occupancies of 0.466 (14) and 0.534 (14).
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Project description:The asymmetric unit of the title compound, C(7)H(5)ClO(3), contains two mol-ecules; both feature an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, both mol-ecules form inversion dimers linked by pairs of O-H⋯O hydrogen bonds with R(2) (2)(8) ring motifs. The dimers are inter-linked by C-H⋯O inter-actions.
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Project description:In the title compound, C(14)H(12)O(4), the indene unit is essentially planar [r.m.s. deviation = 0.0309 (1) Å] and the cyclo-penta-none ring adopts a twist form. In the crystal, mol-ecules are joined via pairs of O-H⋯O hydrogen bonds into centrosymmetric dimers.
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Project description:There are two independent 2-(3-hy-droxy-benzyl-amino)-acetic acid mol-ecules, C(9)H(11)NO(3), in the asymmetric unit of the title compound. The dihedral angle between the benzene rings of the two independent mol-ecules is 58.12 (4)°. The crystal packing is stablized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.
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Project description:In the title compound, C(9)H(10)O(4), the carboxyl group is oriented at a dihedral angle of 84.6 (3)° with respect to the benzene ring. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds.
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