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1,1'-Binaphthyl-2,2'-diyl benzyl-phos-phoramidate.

ABSTRACT: In the title compound, C(27)H(20)NO(3)P, the P atom exhibits a somewhat distorted PNO(3) tetra-hedral geometry, with the O-P-O angle for the binaphthyl fragment being 102.82 (6)°. The dihedral angle between the naphthyl ring systems is 59.00 (2)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

SUBMITTER: Gowda RR

PROVIDER: S-EPMC3238962 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Triethyl-ammonium 1,1'-binaphthyl-2,2'-diyl phosphate.

Project description:In the crystal structure of the title compound, C(6)H(16)N(+)·C(20)H(12)O(4)P(-), an N-H?O inter-action links the cation to the anion. The N atom in the triethyl-ammonium cation exhibits a trigonal-bipyramidal coordination geometry and forms an N-H?O inter-action with one phosphate O atom of the 1,1'-binaphthyl-2,2'-diyl phosphate ligand. A bifurcated C-H?O inter-action with the other phosphate O atom links molecules along the a axis. The dihedral angle between the two naphthyl ring systems is 58.92?(3)°. The refined Flack parameter value of 0.50?(10) indicates inversion twinning.

| S-EPMC3006757 | biostudies-other

catena-Poly[[trimethyl-tin(IV)]-?-(1,1'-binaphthyl-2,2'-diyl phospho-nato)].

Project description:In the title polymeric coordination compound, [Sn(CH(3))(3)(C(20)H(12)O(4)P)](n), the Sn atom exhibits a distorted trigonal-bipyramidal coordination geometry with the phosphate O atoms of the 1,1'-binaphthyl-2,2'-diyl phospho-nate ligands in axial positions and equatorial sites occupied by the three methyl groups. Adjacent Sn atoms are bridged by coordination to the two O atoms of each 1,1'-binaphthyl-2,2'-diyl phospho-nate ligand, forming a one-dimensional chain structure parallel to the b axis.

| S-EPMC2980144 | biostudies-literature

Dimethyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:The two naphthyl fused-ring systems in the title compound, C(22)H(26)O(6), are aligned at 86.7 (1)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968943 | biostudies-literature

1,1'-Bicyclo-hexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate.

Project description:The title compound, C(26)H(28)O(4), lies about a crystallographic twofold rotation axis. The cyclo-hexane rings adopt a chair conformation. The two benzene rings form a dihedral angle of 40.82?(3)°. No significant intra- or inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3379232 | biostudies-literature

(R)-1,1'-Binaphthalene-2,2'-diyl dicinnamate.

Project description:In the title compound, C(38)H(26)O(4), two cinnamo-yloxy groups are linked in a trans fashion to the two O atoms of optically active (R)-1,10-bi-2-naphthol. The dihedral angle between the mean planes of the two naphthyl groups is 71.8 (1)°. The crystal structure contains inter-molecular C-H⋯O and C-H⋯π inter-actions.

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1,1'-Binaphthalene-2,2'-diyl hydrogen phosphate.

Project description:The title compound, racemic bnppa, C(20)H(13)O(4)P, crystallizes with four mol-ecules in the asymmetric unit. Two independent centrosymmetric O-H⋯O hydrogen-bonded tetra-mers, each involving two of the symmetry-independent mol-ecules in the asymmetric unit generate the packing motif in the crystal structure. The hydro-phobic parts of the tetra-mers connect to their neighbours via C-H⋯π and π-π inter-actions [3.899 (2), 3.895 (2) and 3.803 (2) Å within the symmetric unit, 3.851 (2), 4.000 (2), 3.988 (2) and 3.905 (2) Å across centres of symmetry].

| S-EPMC2915313 | biostudies-literature

1,1'-Binaphthyl-2,2'-dicarboxylic acid-urea (1/1).

Project description:In the title co-crystal, C(22)H(14)O(4)·CH(4)N(2)O, the 1,1'-binaphthyl-2,2'-dicarboxylic acid (BNDA) and urea mol-ecules are connected via a system of hydrogen bonds into a chiral two-dimensional polymeric structure parallel to the (001) plane. As the crystal is centrosymmetric, it consists of alternately stacked BNDA-urea layers of opposite chirality. The urea H atoms trans to the C=O group are bonded in a chelating mode [R(1) (2)(6)] to the carbonyl O atom from one of the carboxylic acid groups which, in turn, acts as the donor of an O-H?O hydrogen bond to another urea mol-ecule. The [010] chains thus formed are further connected via an R(2) (2)(8) hydrogen-bond motif formed between urea and the second carboxylic acid group of BNDA.

| S-EPMC2959427 | biostudies-literature

[2,2'-(1,1'-Binaphthyl-2,2'-diyldiimino)-diethanol-?N,N',O]dichloridocopper(II).

Project description:In the title complex, [CuCl(2)(C(24)H(24)N(2)O(2))], the Cu(II) cation is N,N',O-chelated by a 2,2'-(1,1'-binaphthyl-2,2'-diyldiimino)-diethanol ligand and coordinated by two chloride anions in a distorted square-pyramidal geometry. In the diethanol ligand, the two naphthalene ring systems are twisted with respect to each other at a dihedral angle of 68.30?(9)°. The uncoord-inated hy-droxy group links with a coordinated chloride anion via an intra-molecular O-H?Cl hydrogen bond. Inter-molecular N-H?O and N-H?Cl hydrogen bonds occur in the crystal structure.

| S-EPMC3238740 | biostudies-literature

3-[4-(2-Amino-2-oxoeth-yl)phen-oxy]-2-hy-droxy-N-isopropyl-propanaminium 1,1'-binaphthyl-2,2'-diyl phosphate.

Project description:In the title salt, C(14)H(23)N(2)O(3) (+)·C(20)H(12)O(4)P(-), the dihedral angle between the two naphthyl ring systems in the anion is 57.77?(6)°. In the crystal, an O-H?O hydrogen bond links the components. The ammonium group engages in N-H?O hydrogen bonds, generating a layer structure.

| S-EPMC3050315 | biostudies-literature

A Molecular Dynamics Simulation Study of the Association of 1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate Enantiomers with a Chiral Molecular Micelle.

Project description:Molecular dynamics (MD) simulations were used to investigate the binding of 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate (BNP) enantiomers to the molecular micelle poly-(sodium undecyl-(L,L)-leucine-valine) (poly(SULV)). Poly(SULV) is used as a chiral selector in capillary electrophoresis separations. Four poly(SULV) binding pockets were identified and either (R)-BNP or (S)-BNP were docked into each pocket. MD simulations were then used to identify the preferred BNP binding site. Within the preferred site, both enantiomers formed hydrogen bonds with poly(SULV) and penetrated into the poly(SULV) core. Comparisons of BNP enantiomer binding to the preferred poly(SULV) pocket showed that (S)-BNP formed stronger hydrogen bonds, moved deeper into the binding site, and had a lower poly(SULV) binding free energy than the (R) enantiomer. Finally, MD simulation results were in agreement with capillary electrophoresis and NMR experiments. Each technique showed (S)-BNP interacted more strongly with poly(SULV) than (R)-BNP and that the site of chiral recognition was near the poly(SULV) leucine chiral center.

| S-EPMC4112194 | biostudies-literature

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