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3,3'-Dihy-droxy-6,6'-bis-(hy-droxy-meth-yl)-2,2'-(pentane-1,1-di-yl)di-4H-pyran-4-one.

ABSTRACT: In the title mol-ecule, C(17)H(20)O(8), the two pyran rings form a dihedral angle of 61.2?(2)°. The two hy-droxy-methyl groups are each disordered over two sets of sites in a 0.764?(3):0.236?(3) ratio. In the crystal, O-H?O hydrogen bonds link the mol-ecules into layers parallel to the ac plane.

SUBMITTER: Liu MS

PROVIDER: S-EPMC3344022 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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3,3'-Dihy-droxy-6,6'-bis-(hy-droxy-meth-yl)-2,2'-(pentane-1,1-di-yl)di-4H-pyran-4-one.

Liu Mu-Song MS Hu Pan-Pan PP Zhou Tao T

Acta crystallographica. Section E, Structure reports online 20120314 Pt 4

In the title mol-ecule, C(17)H(20)O(8), the two pyran rings form a dihedral angle of 61.2 (2)°. The two hy-droxy-methyl groups are each disordered over two sets of sites in a 0.764 (3):0.236 (3) ratio. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ac plane. ...[more]

PMID: 22589931

Similar Datasets

[3,3'-Dihy-droxy-3,3'-bis-(pyridin-3-yl-κN)-1,1'-(pyridine-2,6-di-yl)dipropan-1-one](nitrato-κO,O')silver(I).

Project description:In the title compound, a new macrocyclic metal complex, [Ag(NO(3))(C(21)H(15)N(3)O(4))], all non-H atoms are in a close-to-planar geometry (except for the nitrate anion), with a maximum out-of-plane deviation of 0.327 (6) Å for a pyridine C atom. The dihedral angle between the least-squares plane through the [3,3'-dihy-droxy-3,3'-bis-(pyridin-3-yl)-1,1'-(pyridine-2,6-di-yl)dipropan-1-one]silver(I) fragment and the nitrate anion is 31.29 (13)°. The mol-ecular structure is stabilized by several inter- and intra-molecular O-H⋯O and C-H⋯O hydrogen bonds. The Ag(I) atom is coordinated by two pyridine N atoms and two O atoms of the nitrate anion in a geometry intermediate between tetrahedral and square-planar.

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3,3'-Dimethyl-1,1'-[(1,3-dihy-droxy-propane-2,2-di-yl)dimethyl-idene]diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The title compound, C(13)H(22)N(4)O(2) (2+)·2PF(6) (-), was prepared by the anion exchange of the dibromide ionic liquid with potassium hexa-fluoro-phosphate. The two imidazole rings are each planar (r.m.s. deviations = 0.0016 and 0.0060?Å) and make a dihedral angle of 45.3?(18)°. Intra-molecular O-H?F hydrogen bonds occur. Inter-molecular C-H?F, O-H?O and C-H?O hydrogen bonds stabilize the crystal structure.

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[2,2'-Dihy-droxy-N,N-(3-hy-droxy-imino-pentane-2,4-di-yl)dibenzo-hydra-zid-ato]copper(II).

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(E,E)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{[3-aza-pentane-1,5-diylbis(aza-nedi-yl)]bis-(phenyl-methyl-idyne)}di-1H-pyrazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(38)H(37)N(7)O(2), contains one half-mol-ecule, situated on a twofold rotational axis, in which one amino group is involved in intra-molecular N-H?O hydrogen bond and the two phenyl rings are twisted from the plane of pyrazolone ring by 26.69?(10) and 79.64?(8)°. The crystal packing exhibits no classical inter-molecular contacts.

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3,3'-(2-Oxocyclo-pentane-1,3-di-yl)dipropane-nitrile.

Project description:The complete mol-ecule of the title compound, C(11)H(14)N(2)O, is generated by crystallographic twofold symmetry, with the C=O group lying on the rotation axis. In the crystal structure, weak C-H⋯N inter-actions form zigzag chains of mol-ecules.

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6,6'-Di-nitro-1,1'-(ethane-1,2-di-yl)di(1H-indazole).

Project description:The mol-ecule of the title compound, C16H12N6O4, is built up from two fused five- and six-membered rings linked by an ethyl-ene group. The dihedral angle between the planes through the indazole ring systems is 39.74 (5)°. The nitro groups are tilted by 7.2 (2) and 8.5 (2)° with respect to planes of the fused-ring systems. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds into chains running parallel to the c axis.

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(Cyclo-pentane-1,1-di-yl)dimethanol.

Project description:In the title compound, C(7)H(14)O(2), co-operative eight-membered homodromic rings of O-H?O hydrogen bonds connect the mol-ecules into strands along [100]. According to graph-set analysis, the descriptor of these cycles is R(4) (4)(8). The cyclo-pentane-ring adopts an envelope conformation ((C4)E).

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Ammonium dihydrogen (1-ammonio-pentane-1,1-di-yl)diphospho-nate.

Project description:The title compound, NH(4) (+)·C(5)H(14)NO(6)P(2) (-), was obtained from 1-ammonio-1-phosphono-pentane-1-phospho-nic acid and ammonium hydroxide in aqueous solution. The asymmetric unit of title compound contains one molecule, which consists of an ammonium cation and an aminodiphosphonic anion with the H atoms transferred from the phosphonic acid group to the amino group. The crystal structure shows a three-dimensional network of O-H?O and N-H?O hydrogen bonds which stabilize the structure.

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Crystal structures of two 4H-chromene derivatives: 2-amino-3-cyano-4-(3,4-di-chloro-phen-yl)-7-hy-droxy-4H-benzo[1,2-b]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-di-chloro-phen-yl)-7-hy-droxy-4H-benzo[1,2-b]pyran.

Project description:In the title compounds, C16H9Cl2N2O2·C4H8O2 and C16H9Cl2N2O2, the bicyclic 4H-chromene cores are nearly planar with maximum deviations of 0.081?(2) and 0.087?(2)?Å. In both structures, the chromene derivative mol-ecules are linked into centrosymmetric dimers by pairs of N-H?O hydrogen bonds, forming R2 2 (16) motifs. These dimers are further linked in the 3,4-di-chloro-phenyl derivative by N-H?N hydrogen bonds into double layers parallel to (100) and in the 2,6-di-chloro-phenyl derivative by O-H?N hydrogen bonds into ribbons along the [10] direction. In the 3,4-di-chloro-phenyl derivative, the 1,4-dioxane solvent mol-ecules are connected to the chromene mol-ecules via O-H?O hydrogen bonds.

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