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Di-tert-butyl 2,2'-[(2-hydroxy-ethyl)aza-nedi-yl]diacetate.

ABSTRACT: In the title compound, C(14)H(27)NO(5), the hydr-oxy group and one of the acetate carbonyl O atoms are linked by an intra-molecular O-H⋯O hydrogen bond, forming an eight-membered ring. This inter-action gives rise to an asymmetric mol-ecular conformation.

SUBMITTER: Yang Y

PROVIDER: S-EPMC2971910 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Di-tert-butyl 2,2'-(biphenyl-2,2'-diyl-dioxy)diacetate.

Project description:The title compound, C(24)H(30)O(6), does not exhibit π-π inter-actions due to the steric effect of the bulky tert-butyl groups present in the mol-ecule. The presence of these groups at the 2 and 2' positions hinders the free motion of the benzene rings relative to each other, causing them to adopt an anti-periplanar arrangement. The benzene rings are twisted by just under 50.96 (17)° with respect to each other. The carbonyl groups within the mol-ecule are directed in different directions, one towards the biphenyl group and the other away from it. The mol-ecules are linked together by C=O⋯H-C hydrogen bonds.

| S-EPMC2962041 | biostudies-literature

Di-tert-butyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:In the crystal structure of the title compound, C(32)H(34)O(6), the mol-ecule is located on a twofold rotation axis. The two naphthyl fused-ring systems are aligned at 72.6 (1)°. Weak intermolecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968877 | biostudies-literature

Di-tert-Butyl 2,2'-[2,2'-methyl-enebis(naphthalene-2,1-diyldi-oxy)]diacetate.

Project description:In the title compound, C(33)H(36)O(6), two naphthalene ring systems are connected through a methyl-ene linkage [C-C-C = 114.9 (2)°]; the ring systems are aligned at an angle of 76.5 (1)°. Of the two -O-CH(2)-C(=O)-C(CH(3))(3) substituents, one adopts an extended conformation whereas the other is U-shaped. In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonding, forming supra-molecular chains running along the c axis.

| S-EPMC3051626 | biostudies-literature

Crystal structure and Hirshfeld analysis of di-<i>tert</i>-butyl 2,2'-[(ethyl-aza-nedi-yl)bis-(methyl-ene)]bis-(1<i>H</i>-pyrrole-1-carboxyl-ate).

Project description:The title compound, C22H33N3O4, crystallizes in the triclinic space group P with two mol-ecules in a unit cell. The two pyrrole rings are essentially planar (r.m.s. deviation = 0.002 Å) and they form a dihedral angle of 81.24 (10)° with each other. The crystal packing is stabilized by C-H⋯π inter-actions and π-π stacking inter-actions, forming a three-dimensional network. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that the most important contributions for the crystal packing are from H⋯H (74.3%), C⋯H/H⋯C (11.5%) and O⋯H/H⋯O (9.1%) contacts.

| S-EPMC7784644 | biostudies-literature

2,2'-[1,2-Phenyl-enebis(aza-nedi-yl)]di-aceto-nitrile.

Project description:The title compound, C10H10N4, shows chemical but not crystallographic C2 symmetry. The two cyano-methyl groups are located in an anti position with respect to the aromatic ring. In the crystal, mol-ecules form parallel ladder-like tapes linked through two N-H?N hydrogen bonds. Further weak intra-molecular N-H?N hydrogen bonding is responsible for the elongation of one of the Caromatic-N bonds.

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Di-tert-butyl 2,2'-[(biphenyl-4,4'-diyl)-dioxy]diacetate.

Project description:The complete molecule of the title compound, C(24)H(30)O(6), is generated by a crystallographic inversion centre. In the unique part of the mol-ecule, the four-atom -O-CH(2)-C(= O)-O- chain between the benzene ring and the tert-butyl group assumes a zigzag conformation [O-C-C-O torsion angle = -162.3?(1)°].

| S-EPMC3006834 | biostudies-other

Di-tert-butyl N-[2,6-bis-(methoxy-meth-oxy)phen-yl]imino-diacetate.

Project description:The title mol-ecule, C(20)H(31)NO(8), has pseudo-C2 symmetry about the C-N bond, with the bis-(tert-butoxy-carbon-yl)amino group twisted from the benzene ring plane by ca 60° and the bulky tert-butoxy-carbonyl (Boc) groups are orientated away from the substituted aniline group. As part of an anti-bacterial drug discovery programme furnishing analogues of platensimycin, we unexpectedly synthesized the bis-Boc-protected aniline.

| S-EPMC2968827 | biostudies-literature

Bis[eth-yl(2-hydroxy-ethyl)aza-nium] 2,2'-disulfanediyldibenzoate.

Project description:The asymmetric unit of the title salt, 2C(4)H(12)NO(+)·C(14)H(8)O(4)S(2) (2-), contains an eth-yl(2-hydr-oxy)aminium cation and half a 2,2'-disulfanediyldibenzoate anion, with the latter disposed about a twofold axis. The cation is a straight chain with the exception of the terminal hydr-oxy group [the N-C-C-O torsion angle is 66.5?(2)°]. A twisted conformation is found for the anion [the C-S-S-C torsion angle is 91.51?(9)° and the dihedral angle between the rings is 81.01?(4)°]. A supra-molecular chain with base vector [101] and a tubular topology is formed in the crystal structure mediated by charge-assisted O-H?O(-) and N(+)-H?O(-) hydrogen bonding.

| S-EPMC2983623 | biostudies-literature

2,4-Di-tert-butyl-6-[1-(3,5-di-tert-butyl-2-hydroxy-phen-yl)eth-yl]phenyl 4-methyl-benzene-sulfonate.

Project description:The title compound, C(37)H(52)O(4)S, was obtained by the reaction of 6,6'-(ethane-1,1-di-yl)bis-(2,4-di-tert-butyl-phenol) and 4-methyl-benzene-1-sulfonyl chloride. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond. Two of the tert-butyl groups are disordered over two sets of sites with occupancies 0.530?(15)/0.470?(15) and 0.615?(11)/0.385?(11).

| S-EPMC2968069 | biostudies-literature

(Biphenyl-2,2'-di-yl)di-tert-butyl-phos-phonium trifluoro-methane-sulfonate.

Project description:To aid in the elucidation of catalytic reaction mechanism of palladacycles, we found that reaction of trifluoro-methane-sulfonic acid with a phosphapalladacycle resulted in elimination of the palladium and formation of the title phospholium salt, C20H26P(+)·CF3SO3(-). Selected geometrical parameters include P-biphenyl (av.) = 1.801?(3)?Å and P-t-Bu (av.) = 1.858?(3)?Å, and significant distortion of the tetra-hedral P-atom environment with biphen-yl-P-biphenyl = 93.93?(13)° and t-Bu-P-t-Bu = 118.82?(14)°. In the crystal, weak C-H?O inter-actions lead to channels along the c axis that are occupied by CF3SO3(-) anions.

| S-EPMC3588282 | biostudies-literature

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