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Crystal structure of dimethyl N,N'-[(ethyne-1,2-di-yl)bis-(1,4-phenyl-enecarbon-yl)]bis-(l-alaninate).

ABSTRACT: The di-phenyl-ethyne unit of the title mol-ecule, C₂₄H₂₄N₂O₆, deviates slightly from planarity. The l-alanine moieties adopt distorted helical conformations of opposite winding direction. Infinite ribbons of N-H⋯O=C-connected mol-ecules represent the basic supra-molecular entities of the crystal structure. These aggregates are linked by C-H⋯O hydrogen bonds involving the oxygen atoms of the methyl carboxyl-ate units. The crystal studied was refined as an inversion twin.

SUBMITTER: Eissmann F

PROVIDER: S-EPMC6658949 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 1,2-bis-(2,6-di-methyl-phen-yl)-3-phenyl-guanidine.

Project description:In the title compound, C23H25N3, the dihedral angles between the planes of the benzene ring and the two substituent di-methyl-phenyl rings are 60.94 (7)° and 88.08 (7)°, and the dihedral angle between the planes of the two di-methyl-phenyl rings is 58.01 (7)°. In the crystal, weak C-H⋯N inter-actions exist between adjacent mol-ecules. One of the di-methyl-phenyl rings has a small amount of π-π overlap with the phenyl ring of an adjacent mol-ecule [centroid-to-centroid distance = 3.9631 (12) Å].

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5,5'-(Ethyne-1,2-di-yl)diisophthalic acid dimethyl sulfoxide tetra-solvate.

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

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Crystal structure of 1,2-bis-(3,5-di-fluoro-phen-yl)ethane-1,2-dione.

Project description:The title compound, C14H6F4O2, crystallizes with half of a mol-ecule per asymmetric unit and exhibits bond lengths and angles typical of α-diketones. A network of C-H⋯F contacts and π-π stacking inter-actions is observed within the structure.

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Crystal structure of 4,4'-(ethane-1,2-di-yl)bis-(2,6-di-bromo-aniline).

Project description:In the title compound, C14H12Br4N2, the mol-ecule lies across an inversion center and hence the benzene rings are strictly coplanar. In the crystal, mol-ecules are linked by N-H⋯N and weak N-H⋯Br hydrogen bonds, forming a two-dimensional network parallel to (101). In addition, type II Br⋯Br inter-actions [3.625 (4) Å] complete a three-dimensional supra-molecular network.

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Project description:The complete mol-ecule of the title compound, C32H28N2, is generated by crystallographic inversion symmetry. The dihedral angles between the central aromatic ring and the pendant adjacent rings are 61.37 (16) and 74.20 (14)°. The N-H group does not participate in hydrogen bonds and there are no aromatic π-π stacking inter-actions in the crystal.

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Crystal structure of bis-[μ-1,2-bis-(di-phenyl-phosphan-yl)ethane-κ(2) P:P']bis[(N,N'-di-ethyl-thio-urea-κS)iodidocopper(I)].

Project description:The binuclear title complex, [Cu2I2(C26H24P2)2(C5H12N2S)2], lies about an inversion centre. The Cu(I) atom displays a distorted tetra-hedral coordination geometry defined by one S atom of an N,N'-di-ethyl-thio-urea ligand, two P atoms derived from two bridging 1,2-bis-(di-phenyl-phosphan-yl)ethane (dppe) ligands and one iodide ion. The dppe ligand bridges two symmetry-related Cu(I) ions, forming a 10-membered Cu2P4C4 ring. An intra-molecular N-H⋯I hydrogen bond is noted. In the crystal, N-H⋯I hydrogen bonds link complex mol-ecules into layers parallel to (-101).

| S-EPMC4555430 | biostudies-literature

Crystal structure of [N,N'-bis-(4-methyl-phen-yl)-1,2-di-phenyl-ethane-1,2-di-imine-κ(2) N,N']di-chlorido-palladium(II) methanol monosolvate.

Project description:The title compound, [PdCl2(C28H24N2)]·CH3OH, was pre-pared from the reaction of PdCl2(DMSO)2 (DMSO is di-methyl sulfoxide) and N,N'-bis-(4-methyl-phen-yl)-1,2-di-phenyl-ethane-1,2-di-imine in methanol. The chelating di-imine core of the title compound deviates slightly from planarity, with an N-C-C-N torsion angle of 5.3 (3)°. Delocalization in the di-imine core is indicated by N-C and C-C bonds that are, respectively, longer and shorter than those found in related nonchelating di-imines. The distorted square-planar coordination environment around the Pd(II) atom is manifested as bond angles that are smaller and larger than 90°, and palladacycle torsion angles of -173.22 (16) and 167.06 (16)°. These deviations are attributed to the small bite angle of 79.13 (8)° of the di-imine chelate. The crystal packing exhibits weak inter-molecular hydrogen-bonding inter-actions involving aromatic H atoms, Cl atoms and inter-calated methanol solvent mol-ecules, defining layers parallel to (010).

| S-EPMC4555432 | biostudies-literature

Crystal structure of diethyl 3,3'-{2,2'-(1E)-[1,4-phenyl-enebis(azan-1-yl-1-yl-idene)]bis-(methan-1-yl-1-yl-idene)bis-(1H-pyrrole-2,1-di-yl)}di-propano-ate.

Project description:The complete mol-ecule of the title compound, C26H30N4O4, is generated by crystallographic inversion symmetry. The dihedral angle between the planes of the benzene and pyrrole rings is 45.20 (11)°; the N atom bonded to the the benzene ring and the pyrrole N atom are in a syn conformation. The side chain adopts an extended conformation [N-C-C-C = 169.07 (17)° and C-O-C-C = -176.54 (17)°]. No directional inter-actions could be identified in the crystal packing.

| S-EPMC4438852 | biostudies-literature

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