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A cocrystal of 3α-hy-droxy-tirucalla-8,24-dien-21-oic acid and 3β-fluoro-tirucalla-7,24-dien-21-oic acid (0.897:0.103).

ABSTRACT: The title compound, 0.897C(30)H(48)O(3).0.103C(30)H(47)O(2)F is a co-crystal of two triterpenes isolated from the resin of Canarium schweinfurthiiand Engl. Both triterpenes consists of four trans-fused rings having chair/half-chair/half-chair and envelope conformations. The mol-ecular conformations are stabilized by intra-molecular C-H⋯O hydrogen bonds, forming rings of S(7) graph-set motif. In the crystal, mol-ecules are linked by inter-molecular O-H⋯O and C-H⋯O inter-actions, forming sheets parallel to (001). All atoms. excepting the axially-oriented hydroxyl group in the major component and the equatorially-oriented fluorine atom in the minor component, are overlapping.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3099936 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3α-Hy-droxy-tirucalla-8,24-dien-21-oic acid.

Project description:The title compound, C(30)H(48)O(3), a triterpene isolated from the resin of canarium schweinfurthiiand, is an isomer of the previously reported triterpene 3α-hy-droxy-tirucalla-7,24-dien-21-oic acid [Mora et al. (2001 ▶). Acta Cryst. C57, 638-640], which crystallizes in the same trigonal space group. The title mol-ecule consists of four fused rings having chair, half-chair, half-chair and envelope conformations for rings A, B, C and D, respectively (steroid labelling). An intra-molecular C-H⋯O hydrogen bond generates an S(7) ring. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O inter-actions, forming (001) sheets.

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11,20-Dihy-droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate.

Project description:The title compound, C(21)H(28)O(5)·H(2)O, is the hydrate of a steroid derivative and was obtained by degradation of solid prednisolone sodium phosphate. The six C atoms in ring A are nearly co-planar with a mean deviation of 0.015?Å. Rings B and C are both in chair conformations, while ring D has an envelope form. In the crystal, inter-molecular O-H?O hydrogen-bonding inter-actions occur between the hy-droxy groups, carbonyl O atoms and solvent water mol-ecules, resulting in an overall three-dimensional structure.

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Project description:The title compound, C(20)H(28)O(3), was isolated during our investigation into the chemical composition and pharmacological activity of Centipeda cunninghamii (DC.) A. Braun & Asch. (Asteraceae). The enanti-opure compound, a diterpene with a carbon skeleton, is composed of three six- and one five-membered rings in chair, twist-boat, half-chair and envelope conformations, respectively. Each mol-ecule makes one intra- and one inter-molecular O-H?O hydrogen bond in the crystal lattice, forming hydrogen-bonded chains along [010]. The absolute configuration of the compound was assigned on the basis of optical rotation measurements.

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(2Z,4E)-1-(5-Fluoro-2-hy-droxy-phen-yl)-5-(4-fluoro-phen-yl)-3-hy-droxy-penta-2,4-dien-1-one.

Project description:In the title mol-ecule, C17H12F2O3, the dihedral angle between the benzene rings is 8.6?(2)°. In the crystal, two pairs of O-H?O hydrogen bonds connect the mol-ecules into inversion dimers. In addition, weak C-H?F hydrogen bonds link the dimers into a two-dimensional network parallel to (10-4). The carbonyl O atom is an acceptor for two weak intra-molecular hydrogen bonds.

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3,4-Di-fluoro-2-hy-droxy-benzoic acid.

Project description:In the title compound, C7H4F2O3, an intra-molecular O-H?O hydrogen bond is observed. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R 2 (2)(8) ring motifs. These dimers are linked by C-H?O and C-H?F hydrogen bonds, forming sheets lying parallel to (30-1). The sheets are linked by aromatic ?-? stacking inter-actions [inter-centroid distance = 3.7817?(9)?Å], forming a three-dimensional structure.

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5-[(E)-(2-Fluoro-benzyl-idene)amino]-2-hy-droxy-benzoic acid.

Project description:In the title compound, C(14)H(10)FNO(3), the dihedral angle between the two benzene rings is 32.66?(14)°. An S(6) ring motif is formed due to an intra-molecular O-H?O hydrogen bond between the hy-droxy and carbonyl groups. In the crystal, mol-ecules are consolidated into dimers with R(2) (2)(8) ring motifs by pairs of O-H?O hydrogen bonds.

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Project description:The title compound, C20H28O2, is a steroid with strong anabolic properties. The present solvent-free form crystallizes with two mol-ecules per asymmetric unit. In the crystal, both mol-ecules are involved in the formation of O-H?O hydrogen-bonded chains which extend along the b-axis direction.

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21-Hy-droxy-pregna-1,4-diene-3,20-dione.

Project description:The title compound, C(21)H(28)O(3), is a fungal transformed metabolite of decoxycorticosterone acetate, consisting of four fused rings A, B, C and D. Ring A is nearly planar, with a maximum deviation of 0.010?(3)?Å from the least-squares plane, while the trans-fused rings B and C adopt chair conformations. The five-membered ring D is in an envelope conformation. The orientation of the side chain is stabilized by an intramolecular O-H?O hydrogen bond. In the crystal, adjecent mol-ecules are linked by C-H?O hydrogen bonds into extended zigzag chains along the a axis.

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2-Fluoro-N'-(2-hy-droxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(14)H(11)FN(2)O(2), an intra-molecular O-H?N hydrogen bond influences the mol-ecular conformation; the two benzene rings form a dihedral angle of 18.4?(3)°. The F atom is disordered over two positions in a 0.717?(5):0.283?(5) ratio. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains extending along the c axis.

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