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Crystal structure of butane-1,4-diyl bis-(furan-2-carboxyl-ate).

ABSTRACT: The asymmetric unit of the title compound, C₁₄H₁₄O₆, a monomeric compound of poly(butyl-ene 2,5-furandi-carboxyl-ate), consists of one half-mol-ecule, the whole all-trans mol-ecule being generated by an inversion centre. In the crystal, the mol-ecules are inter-connected via C-H⋯O inter-actions, forming a mol-ecular sheet parallel to (10). The mol-ecular sheets are further linked by C-H⋯π inter-actions.

SUBMITTER: Hoshide M

PROVIDER: S-EPMC6658970 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Butane-1,4-diyl bis-(pyridine-3-carboxyl-ate).

Project description:Mol-ecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C(16)H(16)N(2)O(4), lie on a inversion centre, located at the mid-point of the central C-C bond of the aliphatic chain, giving one half-mol-ecule per asymmetric unit. The butane chain adopts an all-trans conformation. The dihedral angle between the mean plane of the butane-3-carboxyl-ate group [for the non-H atoms, maximum deviation = 0.0871?(15)?Å] and the pyridine ring is 10.83?(7)°. In the crystal, mol-ecules lie in planes parallel to (122). The structure features weak ?-? inter-actions with a centroid-centroid distance of 3.9281?(11)?Å.

| S-EPMC3393279 | biostudies-literature

Butane-1,4-diyl bis-(pyridine-4-carboxyl-ate).

Project description:The mol-ecule of the title compound, C(16)H(16)N(2)O(4), lies about an inversion centre; the butane chain adopts an extended zigzag conformation. The dihedral angle between the pyridine ring and the adjacent COO group is 3.52?(s14)°.

| S-EPMC3152005 | biostudies-literature

Butane-1,4-diyl bis-(benzene-carbodi-thio-ate).

Project description:The title compound, C18H18S4, which lies on an inversion center, adopts a trans-gauche (+)-trans-gauche (-)-trans (tg (+) tg (-) t) conformation of the S-CH2-CH2-CH2-CH2-S bond sequence. In the crystal, a ?-? inter-action with a centroid-centroid distance of 3.8797?(16)?Å is observed.

| S-EPMC3884305 | biostudies-literature

S,S'-Butane-1,4-diyl bis-(benzene-carbo-thio-ate).

Project description:The title compound, C18H18O2S2, which lies on an inversion center, adopts a gauche (+)-trans-trans-trans-gauche (-) (g (+) tttg (-)) conformation in the S-CH2-CH2-CH2-CH2-S bond sequence. In the crystal, mol-ecules are packed in a herringbone arrangement through inter-molecular C-H?? inter-actions.

| S-EPMC3884287 | biostudies-literature

Butane-1,4-diammonium bis-(pyridine-2-carboxyl-ate) monohydrate.

Project description:The asymmetric unit of the title compound, C(4)H(14)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated tetra-methyl-enediammonium dication, a pyridine-2-carboxyl-ate anion and half of a solvent water mol-ecule; the dication is located on a centre of inversion and a twofold rotation axis passes through the O atom of the water mol-ecule. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal structure, the components are linked by inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds.

| S-EPMC2970077 | biostudies-literature

(Butane-1,3-diyne-1,4-diyl)bis-(tri-isopropyl-silane).

Project description:The mol-ecule of the title compound, C(22)H(42)Si(2), lies on a center of inversion, and the triisopropyl-silyl groups are staggered.

| S-EPMC3007236 | biostudies-literature

Propane-1,3-diyl bis-(pyridine-4-carboxyl-ate).

Project description:The title compound. C(15)H(14)N(2)O(4), (I), has a gauche-gauche (O/C/C/C-O/C/C/C or GG) conformation and is a positional isomer of propane-1,3-diyl bis-(pyridine-3-carboxyl-ate), (II). The mol-ecule of (I) lies on a twofold rotation axis, which passes through the central C atom of the aliphatic chain, giving one half-mol-ecule per asymmetric unit. There is excellent agreement of the geometric parameters of (I) and (II). The most obvious differences between them are the O/C/C/C-O/C/C/C torsion angles [56.6?(2)° in (I) and 174.0?(3)/70.2?(3)° in (II) for GG and TG conformations, respectively] and the dihedral angle between the planes of the aromatic rings [80.3?(10)° in (I) and 76.5?(3)° in (II)]. The crystal structure is stabilized by weak C-H? N and C-H? O hydrogen bonding.

| S-EPMC2979147 | biostudies-literature

Propane-1,3-diyl bis-(pyridine-3-carboxyl-ate).

Project description:The title compound, C(15)H(14)N(2)O(4), has a trans-gauche [O/C/C/C-O/C/C/C] (TG) conformation. The angle between the planes of aromatic rings is 76.4 (3)°. The crystal structure is stabilized by van der Waals inter-actions and C-H⋯O hydrogen bonds. The crystal used was a non-merohedral twin with a fractional contribution of the minor component of 0.443 (5).

| S-EPMC2983924 | biostudies-literature

Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

Project description:In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0?(1) and 89.5?(1)°, while that with the ester group is 3.1?(3)°. In the crystal, only weak inter-molecular C-H?O hydrogen bonds are present.

| S-EPMC4459327 | biostudies-literature

Crystal structure of (μ-1,4-di-carb-oxy-butane-1,4-di-carboxyl-ato)bis-[bis-(tri-phenyl-phosphane)silver(I)] di-chloro-methane tris-olvate.

Project description:The mol-ecular structure of the tetra-kis(tri-phenyl-phosphan-yl)disilver salt of butane-1,1,4,4-tetra-carb-oxy-lic acid, [Ag2(C8H8O8)(C18H15P)4]·3CH2Cl2, crystallizes with one and a half mol-ecules of di-chloro-methane in the asymmetric unit. The coordination complex exhibits an inversion centre through the central CH2-CH2 bond. The Ag(I) atom has a distorted trigonal-planar P2O coordination environment. The packing is characterized by inter-molecular T-shaped π-π inter-actions between the phenyl rings of the PPh3 substituents in neighbouring mol-ecules, forming a ladder-type superstructure parallel to [010]. These ladders are arranged in layers parallel to (101). Intra-molecular hydrogen bonds between the OH group and one O atom of the Ag-bonded carboxyl-ate group results in an asymmetric bidendate coordination of the carboxyl-ate moiety to the Ag(I) ion.

| S-EPMC4770955 | biostudies-literature

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