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Crystal structure of (E)-1,2-bis-(4-bromo-2,6-di-fluoro-phen-yl)diazene.

ABSTRACT: In the crystal, mol-ecules of the centrosymmetric title compound, C12H4Br2F4N2, are linked into strands along [011] by weak C-H⋯F contacts. Furthermore, the mol-ecules are π-π stacked with perpendicular ring distances of 3.4530 (9) Å.

SUBMITTER: Broichhagen J

PROVIDER: S-EPMC4518941 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC4331912 | biostudies-literature

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.

| S-EPMC8382065 | biostudies-literature

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].

| S-EPMC4518950 | biostudies-literature

Isotypic crystal structures of 2,6-di-bromo-N,N-bis-(4-nitro-phen-yl)aniline and 2,6-di-chloro-N,N-bis-(4-nitro-phen-yl)aniline.

Project description:In the mol-ecules of the two isotypic title compounds, C18H11Br2N3O4 (I) and C18H11Cl2N3O4 (II), the tri-phenyl-amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058?(13)?Å for the Br compound (I) and 0.0074?(9)?Å for the Cl compound (II). In the crystals, mol-ecules are linked through C-H?O hydrogen bonds between phenyl rings and nitro groups and by X?O (X = Br, Cl) inter-actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network.

| S-EPMC4158496 | biostudies-literature

rac-2,2'-(Thiane-2,6-di-yl)bis-[1-(4-bromo-phen-yl)ethanone].

Project description:In the title compound, C(21)H(20)Br(2)O(2)S, prepared by the reaction of 1,9-bis-(4-bromo-phen-yl)nona-2,7-diene-1,9-dione with sodium sulfide nona-hydrate in acetonitrile, the six-membered thio-pyran ring has a chair conformation while the H atoms ortho to the S atom adopt a cis configuration. The dihedral angle between the two benzene rings is 2.59 (8)°.

| S-EPMC3089314 | biostudies-literature

Synthesis and crystal structure of (E)-1,2-bis-[2-(methyl-sulfan-yl)phen-yl]diazene.

Project description:The title compound, C14H14N2S2, was obtained by transmetallation of 2,2'-bis-(tri-methyl-stann-yl)azo-benzene with methyl lithium, and subsequent quenching with dimethyl di-sulfide. The asymmetric unit comprises two half-mol-ecules, the other halves being completed by inversion symmetry at the midpoint of the azo group. The two mol-ecules show only slight differences with respect to N=N, S-N and aromatic C=C bonds or angles. Hirshfeld surface analysis reveals that except for one weak H?S inter-action, inter-molecular inter-actions are dominated by van der Waals forces only.

| S-EPMC6829741 | biostudies-literature

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536 (9):0.464 (9) ratio and are acceptors of water H atoms in medium-strong O-H⋯O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A π-π inter-action [centroid-centroid distance = 3.913 (2) Å] occurs between pyridine rings, and weak C-H⋯O inter-actions also occur.

| S-EPMC3684881 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

Project description:In the title compound, C14H8Br2FN3O2, the 4-fluoro-phenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)°. Mol-ecules in the crystal are connected by C-H⋯O and C-H⋯F hydrogen bonds into layers parallel to (011). The crystal packing is consolidated by C-Br⋯π and C-F⋯π inter-actions, as well as by π-π stacking inter-actions. According to a Hirshfeld surface analysis of the crystal structure, the most significant contributions to the crystal packing are from O⋯H/H⋯O (15.0%), H⋯H (14.3%), Br⋯H/H⋯Br (14.2%), C⋯H/H⋯C (10.1%), F⋯H/H⋯F (7.9%), Br⋯Br (7.2%) and Br⋯C/C⋯Br (5.8%) contacts.

| S-EPMC9069519 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-di-bromo-1-(2-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

Project description:In the title compound, C14H8Br2FN3O2, the nitro-substituted benzene ring and the 4-fluoro-phenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, mol-ecules are linked into chains by C-H⋯O hydrogen bonds running parallel to the c-axis direction. The crystal packing is consolidated by C-F⋯π inter-actions and π-π stacking inter-actions, and short Br⋯O [2.9828 (13) Å] contacts are observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (17.4%), O⋯H/H⋯O (16.3%), Br⋯H/H⋯Br (15.5%), Br⋯C/C⋯Br (10.1%) and F⋯H/H⋯F (8.1%) contacts.

| S-EPMC8983971 | biostudies-literature

Crystal structure of 1-(2-chloro-acet-yl)-2,6-bis-(4-fluoro-phen-yl)-3,3-di-methyl-piperidin-4-one.

Project description:In the title mol-ecule, C21H20ClF2NO2, the piperidine ring adopts a slightly distorted boat conformation. The two benzene rings form a dihedral angle of 87.43?(1)°. A weak intra-molecular C-H?? inter-action is observed. In the crystal, weak C-H?O hydrogen bonds and weak C-H?? inter-actions connect the mol-ecules, forming a three-dimensional network.

| S-EPMC4257194 | biostudies-literature

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