Crystal structure of 1-{4-[bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile
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ABSTRACT:
SUBMITTER: Bader M
PROVIDER: S-EPMC10915659 | biostudies-literature | 2024 Feb
REPOSITORIES: biostudies-literature
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Project description:The molecules of the title compound, C26H48N4Si3, are linked via an SiC–H⋯π(aryl) interaction in the crystal. The title compound, C26H48N4Si3, was synthesized by the reaction of 2,2-dichlorotrisilane with 3,5-bis(dimethylamino)phenyllithium. In the molecule, the dihedral angle between the benzene rings is 57.57 (7)° and the Si—Si—Si bond angle is 110.08 (2)°. In the crystal, molecules are linked via an SiC–H⋯π(aryl) interaction, forming a chain along the c-axis direction.
| S-EPMC9462273 | biostudies-literature
Project description:A 1,3,5-trisubstituted 2,4,6-trialkylbenzene derivative with bis(hydroxyethyl)amino and 2,4-dimethylpyridinylamino substituents was synthesized and its structure determined by single-crystal X-ray diffraction. The crystal packing is stabilized by intra- and intermolecular hydrogen bonds and weak C—H⋯π contacts. In the crystal structure of the title compound, C30H50N4O4, the two bis(hydroxyethyl)amino moieties and the 2,4-dimethylpyridinylamino unit of the molecule are located on one side of the central benzene ring, while the ethyl substituents are oriented in the opposite direction. The dihedral angle between the planes of the aromatic rings is 73.6 (1)°. The conformation of the molecule is stabilized by intramolecular O—H⋯O (1.86–2.12 Å) and C—H⋯N (2.40, 2.54 Å) hydrogen bonds. Dimers of inversion-related molecules represent the basic supramolecular entities of the crystal structure. They are further connected via O—H⋯O hydrogen bonding into undulating layers extending parallel to the crystallographic bc plane. Interlayer interaction is accomplished by weak C—H⋯π contacts.
| S-EPMC9361370 | biostudies-literature
Project description:The synthesis and single-crystal structure are described of a μ-NO2 silver(I) tris-p-tolylphosphine complex to be applied as an potential anticancer agent. The molecular structure of the title compound, [Ag(NO2)(C21H21P)2], exhibits a pseudo-tetrahedral coordination around the central AgI atom. The compound crystallizes with one molecule in the asymmetric unit in the monoclinic space group P21/n with a rather long b axis [33.8752 (2) Å]. Weak C—H⋯O and C—H⋯N interactions consolidate the crystal packing. The nitrite-O atoms each occupy a single position in the coordination geometry.
| S-EPMC9815127 | biostudies-literature
Project description:The crystal structures of the disulfide derivative of (Z)-ethene-1,2-bis(diphenylphosphine) as well as its complex with PtII are described here. The structure of the phosphine sulfide features intramolecular π–π interactions and C—H⋯S hydrogen bonds, as well as intermolecular π–π and C—H⋯π interactions. The structure of the platinum(II) complex features intermolecular C—H⋯Cl and C—H⋯S hydrogen bonds. The crystal structures of (Z)-(ethene-1,2-diyl)bis(diphenylphosphine sulfide), C26H22P2S2 (I), along with its complex with PtII dichloride, dichlorido[(Z)-(ethene-1,2-diyl)bis(diphenylphosphine sulfide)-κ2S,S′]platinum(II), [PtCl2(C26H22P2S2)] (II), are described here. Compound I features P=S bond lengths of 1.9571 (15) and 1.9529 (15) Å, with a torsion angle of 166.24 (7)° between the two phosphine sulfide groups. The crystal of compound I features both intramolecular C—H⋯S hydrogen bonds and π–π interactions. Molecules of compound I are held together with intermolecular π–π and C—H⋯π interactions to form chains that run parallel to the z-axis. The intermolecular C—H⋯π interaction has a H⋯Cg distance of 2.63 Å, a D⋯Cg distance of 3.573 (5) Å and a D—H⋯Cg angle of 171° (where Cg refers to the centroid of one of the phenyl rings). These chains are linked by relatively long C—H⋯S hydrogen bonds with D⋯A distances of 3.367 (4) and 3.394 (4) Å with D—H⋯A angles of 113 and 115°. Compound II features Pt—Cl and Pt—S bond lengths of 2.3226 (19) and 2.2712 (19) Å, with a P=S bond length of 2.012 (3) Å. The PtII center adopts a square-planar geometry, with Cl—Pt—Cl and S—Pt—S bond angles of 90.34 (10) and 97.19 (10)°, respectively. Molecules of compound II are linked in the crystal by intermolecular C—H⋯Cl and C—H⋯S hydrogen bonds.
| S-EPMC9815131 | biostudies-literature
Project description:In the title 1:1 co-crystal, C12H10N2·C8H7NO4, the bi-pyridine moiety shows whole-mol-ecule disorder over two sets of sites in a 0.588 (3): 0.412 (3) ratio. In the crystal, the components form hydrogen-bonded sheets linked by N-H⋯O and O-H⋯N inter-actions, which stack along the a axis. A comparison to a related and previously published co-crystal of 5-amino-isophthalic acid and the shorter 4,4'-bipryidine is presented.
| S-EPMC4908539 | biostudies-literature
Project description: Not available
| S-EPMC11223698 | biostudies-literature
Project description:The crystal structure of the title compound consists of discrete octahedral complexes, which are linked by intermolecular C—H⋯S and C—H⋯N hydrogen bonds into chains. Single crystals of the title compound, [Co(NCS)2(C5H4BrN)2(C2H3N)2], were obtained by the reaction of Co(NCS)2 with 3-bromopyridine in acetonitrile. The CoII cations lie on crystallographic inversion centers and are coordinated by two N-bonded thiocyanate anions, two 3-bromopyridine and two acetonitrile ligands thereby forming slightly distorted CoN6 octahedra. In the crystal, these complexes are linked by C—H⋯S and C—H⋯N hydrogen bonds into a three-dimensional network. In the direction of the crystallographic b-axis, the complexes are arranged into columns with neighboring 3-bromopyridine ligands stacked onto each other, indicating π–π interactions. The CN stretching vibration of the thiocyanate anions is observed at 2066 cm−1, in agreement with the presence of only N-bonded anionic ligands. TG-DTA measurements reveal that in the first mass loss the acetonitrile ligands are removed and that in the second step, half of a 3-bromopyridine ligand is lost, leading to the formation of a polymeric compound with the composition [(Co(NCS)2)2(C5H4BrN)3]n already reported in the literature.
| S-EPMC9815133 | biostudies-literature
Project description:In the title polymer, oligomeric stairsteps are composed of rhombus dimers of Cu2I2 that are bridged by 1,2-bis(pyridin-4-yl)ethene ligands. The title compound, {[CuI(bpe)]·0.25(bpe)}n, was synthesized similarly to (CuI)2(bpe) [Neal et al. (2019 ▸). IUCrData, 4, x190122] with red crystals grown from acetonitrile solutions of CuI and the bpe ligand [bpe = 1,2-bis(pyridin-4-yl)ethene, C12H10N2]. The structure of the title compound is a type 1 complex in the Graham nomenclature [Graham et al. (2000 ▸). Inorg. Chem. 39, 5121–5132], having rhombic dimers of Cu2I2 that are bridged by two bpe ligands, to form oligomeric ribbons arranged as stairsteps. The step height is 2.8072 (11) Å, which is the Cu—Ii distance of the dimer [symmetry code (i): 1 − x, 2 − y, 1 − z]. The resulting polymer displays a two-dimensional honeycomb framework along the (01
| S-EPMC9462247 | biostudies-literature
Project description:In the crystal structure of the title compound, the dimesitylboron group acts to reduce the delocalization of the nitrogen atom’s lone pair into the pyrrole ring, with increases in the two N—C bond lengths compared to pyrrole itself. The N—B bond is 1.44125 (15) Å long. In the crystal structure of the title compound, C22H26BN, the B atom acts to reduce the delocalization of the nitrogen lone-pair electron density into the pyrrole ring, so that the two N—C bonds increase in length to 1.4005 (14) and 1.3981 (14) Å. The N—B bond length is 1.4425 (15) Å, which is longer than a typical N—B bond because the nitrogen lone pair is not fully available to participate in the bond.
| S-EPMC9815137 | biostudies-literature
Project description:The N-quaternized ketene N,O-acetal, 1-(1-ethoxyvinyl)-2-(methyl(phenyl)amino)pyridin-1-ium trifluoromethanesulfonate was synthesized and its structure determined, making it a rare example of this class of compounds to be structurally characterized. The novel bench-stable N-quaternized ketene N,O-acetal, C16H19N2O+·CF3O3S−, was synthesized and its structure determined. The title compound is a rare example of a pyridinium ketene hemiaminal for which a crystal structure has been determined, joining the 2-chloro-1-(1-ethyoxyethenyl)pyridin-1-ium trifluoromethanesulfonate salt from which it was synthesized. The cationic species of the title compound can be defined by three individually planar fragments assembling into a non-coplanar cation. The phenyl substituent extending from the amino nitrogen atom and the ethyoxyvinyl substituent extending from the pyridine N atom are oriented on the same side of the molecule and maintain the closest coplanar relationship of the three fragments. Supramolecular interactions are dominated by C—H⋯O interactions from the cation to the SO3 side of the trifluoromethanesulfonate anion, forming a two-dimensional substructure.
| S-EPMC10439406 | biostudies-literature