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Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate tetra-hydro-furan monosolvate.

ABSTRACT: The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H?O hydrogen bond. The central ring makes dihedral angles of 90.0?(2) and 76.5?(2)° with the pendant rings.

SUBMITTER: Xia G

PROVIDER: S-EPMC2983431 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate tetra-hydro-furan monosolvate.

Xia Guangming G Liu Jing J Li Zhen Z Ji Muwei M Sun Guoxin G

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H⋯O hydrogen bond. The central ring makes dihedral angles of 90.0 (2) and 76.5 (2)° with the pendant rings. ...[more]

PMID: 21587488

Similar Datasets

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate.

Project description:The asymmetric unit of the title compound, C(26)H(26)N(2)O(6)S, contains two independent mol-ecules; each has twofold symmetry with the S atom and the mid-point of the C-C bond of the thio-phene ring located on a twofold rotation axis. In the two mol-ecules, the terminal benzene rings are oriented at dihedral angles of 65.8 (3) and 63.5 (3)° with respect to the central thio-phene rings. The meth-oxy-carbonyl group of one mol-ecule is disordered over two positions with site-occupancy factors of 0.277 (12) and 0.723 (12). Inter-molecular N-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3007902 | biostudies-literature

(-)-Dimethyl 3,3'-diphenyl-2,2'-[pyridine-2,6-diylbis(carbonyl-imino)]dipropanoate.

Project description:The title compound, C(27)H(27)N(3)O(6), a bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The pyridine ring is oriented at dihedral angles of 89.69?(3) and 62.95?(3)° with respect to the phenyl rings, while the dihedral angle between the phenyl rings is 60.76?(3)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains. One of the carbonyl O atoms and one of the meth-oxy CH(3) groups are disordered over two positions. The O atom was refined with occupancies of 0.69?(13) and 0.31?(13), while C and H atoms were refined with occupancies of 0.69?(8) and 0.31?(8).

| S-EPMC2969420 | biostudies-literature

(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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(2Z,2'Z)-Diethyl 3,3'-[butane-1,4-diylbis(aza-nedi-yl)]bis-(but-2-enoate).

Project description:The whole mol-ecule of the title ?-enamino-ester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C-C bond of the 1,4-diamino-butane segment. There are two intra-molecular N-H?O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756?(17)?Å]. The mol-ecule is S-shaped with the planar central 1,4-diamino-butane segment [maximum deviation for non H-atoms = 0.0058?(13)?Å] being inclined to the ethyl butyl-enonate fragment [C-C-O-C-C=C-C; maximum deviation = 0.0710?(12)?Å] by 15.56?(10)°. In the crystal, mol-ecules are linked via C-H?O inter-actions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.

| S-EPMC3470214 | biostudies-literature

3,3'-[(tert-Butoxy-carbon-yl)aza-nedi-yl]dipropanoic acid.

Project description:The title compound, C(11)H(19)NO(6), is an important inter-mediate for the synthesis of cephalosporin derivatives. The N atom is in a planar configuration. In the crystal, mol-ecules are linked into zigzag layers parallel to (100) by O-H⋯O hydrogen bonds.

| S-EPMC2969698 | biostudies-literature

4,4'-[Thio-phene-2,5-diylbis(ethyne-2,1-di-yl)]dibenzonitrile.

Project description:In the solid state, the title compound, C(22)H(10)N(2)S, forms centrosymmetric dimers by pairs of non-classical C-H⋯S hydrogen bonds linking approximately coplanar mol-ecules. The benzene ring involved in this inter-action makes a dihedral angle of only 7.21 (16)° with the thio-phene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an inter-planar spacing of 3.44 Å. C-H⋯N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each mol-ecule thus inter-acts with 12 adjacent mol-ecules, five of them approaching closer than the sum of the van der Waals radii for the relevant atoms. Optimization of the inter-stack contacts contributes to the non-planarity of the mol-ecule.

| S-EPMC2961030 | biostudies-literature

Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate.

Project description:In the title compound, C(22)H(20)O(5), the substituted benzene rings are twisted away from the furan ring, making dihedral angles of 54.91?(14) and 20.96?(15)° with the furan ring. The dihedral angle between the two benzene rings is 46.89?(13)°. One ethyl group of one eth-oxy-carbonyl unit is disordered over two sets of sites with occupancies of 0.56?(12) and 0.44?(12). In the crystal, weak intra-molecular C-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3011628 | biostudies-literature

7-Iodo-3,3-diphenyl-octa-hydro-benzo-furan.

Project description:The title compound, C20H21IO, was synthesized by cyclo-haloetherification of 2-(cyclo-hex-2-en-yl)-2,2-diphenyl-ethanol in CH2Cl2, and crystallized with two independent mol-ecules in the asymmetric unit. The six-membered cyclo-hexane ring adopts a chair conformation, while the five-membered ring adopts an envelope conformation with the fused C atom opposite the O atom as the flap in each case [displacements of the flap atoms = 0.6813 (3) and 0.6679 (3) Å]. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions, forming inversion dimers.

| S-EPMC3629630 | biostudies-literature

(3Z,3'E)-3,3'-[Cyclo-hexane-1,2-diylbis(aza-nylyl-idene)]bis-(indolin-2-one) N,N-dimethyl-formamide monosolvate dihydrate.

Project description:In the Schiff base mol-ecule of the title compound, C(22)H(20)N(4)O(2)·C(3)H(7)NO·2H(2)O, the cyclo-hexane ring adopts a chair conformation with the two imine groups linked at the equatorial positions. The two indolin-2-one ring systems make a dihedral angle of 65.63 (5)°. In the crystal, the Schiff base mol-ecules are connected through bifurcated N-H⋯(O,N) hydrogen bonds, forming inversion dimers. The water molecules link the dimers and the dimethylformamide molecules via O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds. Together with C-H⋯π and π-π [centroid-centroid distance = 3.3889 (10) Å] inter-actions a three-dimensional supra-molecular structure is formed.

| S-EPMC3393919 | biostudies-literature

Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.

Project description:The title pseudo-polymorph of 3-(tri-phenyl-phospho-ranyl-idene)-2,5-di-hydro-furan-2,5-dione crystallizes with a tetra-hydro-furan solvent mol-ecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032 Å). The tetra-hydro-furan mol-ecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718 (4):0.282 (4). In the crystal, C-H⋯O hydrogen bonds link mol-ecules of the di-hydro-furan-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetra-hydro-furan layers.

| S-EPMC6127696 | biostudies-literature

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