The O⋯H/H⋯O inter-actions amongst the cation and anion will be the major factor determining the crystal packing.The title compound, C13H19NO8, is based on a tetra-substituted pyrrolidine ring, which includes a twisted conformation concerning the main C-C relationship; the Cm-Ca-Ca-Cme torsion position is 38.26 (15)° [m = methyl-carboxyl-ate, a = acet-yloxy and myself = methyl-ene]. Although the N-bound ethyl-carboxyl-ate group consumes an equatorial position, the remaining substituents occupy axial positions. Within the crystal, supra-molecular double-layers are created by weak methyl- and methyl-ene-C-H⋯O(carbon-yl) inter-actions involving all four carbonyl-O atoms. The two-dimensional arrays pile over the c-axis without directional inter-actions between them. The Hirshfeld area is ruled by H⋯H (55.7%) and H⋯C/C⋯H (37.0%) connections; H⋯H contacts are mentioned within the inter-double-layer area. The inter-action energy calculations point to the importance of the dispersion energy term into the stabilization associated with the crystal.In the title mol-ecule, C20H21N3O3, the allyl substituent is rotated out of the jet of the affixed phenyl ring [torsion angle 100.66 (15)°]. In the crystal, C-HMthphn⋯OMthphn (Mthphn = meth-oxy-phen-yl) hydrogen bonds resulted in formation of (100) levels that are connected into a three-dimensional network by C-H⋯π(ring) inter-actions, as well as π-π stacking inter-actions [centroid-to-centroid length = 3.7318 (10) Å] between synchronous phenyl bands. Hirshfeld surface evaluation suggests that the most crucial efforts towards the crystal packaging come from H⋯H (48.7%) and H⋯C/C⋯H (23.3%) inter-actions. Computational chemistry reveals that the C-HMthphn⋯OMthphn hydrogen bond power is 47.1 kJ mol-1. The theoretical structure, optimized by density useful principle Azo dye remediation (DFT) at the B3LYP/ 6-311 G(d,p) degree, is weighed against the experimentally determined mol-ecular structure. The HOMO-LUMO behavior had been elucidated to look for the energy gap.The polymeric title compound, poly[aqua-hemi[μ2-3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine](μ3-sulfato)-cadmium(II)], [Cd(SO4)(C10H8N8)0.5(H2O)] letter , (we), presents an example of a three-dimensional control polymer resulting from the reaction of CdSO4·8/3H2O with 3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine (H2bmtz, C10H8N8) under hydro-thermal conditions. The CdII atom has a distorted octa-hedral coordination environment defined by two nitro-gen atoms in one H2bmtz ligand, three air atoms from three different sulfate anions, plus one oxygen atom from a coordinating water mol-ecule. The 1,4-di-hydro-1,2,4,5-tetra-zine ring regarding the H2bmtz ligand is based about an inversion center, because of the NH group becoming equally disordered over two web sites. The sulfate anion will act as a μ3-bridging ligand in order to connect three CdII atoms, resulting in the synthesis of [Cd(SO4)(H2O)] sheets propagating parallel to your bc jet. Adjacent sheets tend to be inter-connected throughout the H2bmtz ligands, which coordinate the CdII atoms in a bis-bidentate coordination mode, to create a three-dimensional framework construction. The framework is further stabilized by classical O-H⋯O hydrogen bonds involving the coordinating liquid mol-ecules and the sulfate groups, and by N-H⋯O hydrogen bonds between your disordered tetra-zine NH groups and sulfate oxygen atom, along side C-H⋯π and π-π stacking [centroid-to-centroid separation = 3.5954 (15) Å] inter-actions between synchronous pyrimidine rings for the H2bmtz ligand.into the main fused ring system regarding the title compound, C51H42O5, all of the five-membered rings come in an envelope conformation. The dihedral angle involving the two benzene rings when you look at the fused ring system is 74.66 (7)°. When you look at the crystal, mol-ecules tend to be linked by C-H⋯π inter-actions, creating a layer parallel into the ab airplane. Each mol-ecule functions as a double donor along with a double acceptor of the C-H⋯π inter-actions. Hirshfeld area evaluation and two-dimensional fingerprint plots indicate that the most important contributions into the crystal packing come from H⋯H (61.4%) and C⋯H/H⋯C (25.3%) contacts.The subject substances, hexa-kis-[μ3-2-(di-methyl-amino)-ethano-lato]hexa-μ2-iso-propano-lato-μ4-oxido-tetra-deca-lithium(we), [Li7(i-PrO)3(C4H10NO)3]2O (1), and diiso-prop-an-o-lsodium(I), [Na(i-PrOH)2(C8H18NO2)] (2), had been crystallized into the existence of 2-propanol (i-PrOH, C3H7OH). The structure 1 has monoclinic balance (C2/c) in addition to asymmetric product contains 1 / 2 of the substance. Title mixture 2 has triclinic symmetry (P ) together with asymmetric device is 50 % of an inversion-symmetric aggregate. Both compounds include an alkali material, an amino-alkoxide and a 2-propanol element. Also, the dimeric salt aggregate 2 is build by hydrogen bonding through the 2-propanol therefore the alkoxides. Substance 1 does not exhibit hydrogen bonding, due to the fact that the 2-propanol is deprotonated. In mixture 1, benzene appeared as co-crystallate, but had been stifled by solvent masking as a result of strong disorder. The formula mass and thickness try not to take account of the solvent.In the title compound [Fe(bpe)(Hbpe)Au(CN)2][Au(CN)2]2·bpe·2H2O n [where bpe = 1,2-bis-(pyridin-4-yl)ethene, C12H10N2], the FeII ion is coordinated in a distorted octa-hedral [FeN4O2] environment by two di-cyano-aurate anions, two liquid mol-ecules and two partially protonated 1,2-di(4-pyrid-yl)ethyl-ene mol-ecules. Di-cyano-aurate anions bridge the FeII cations, forming boundless stores, which propagate along the a-axis path. The chains are linked via aurophilic inter-actions with two non-coordinated di-cyano-aurate anions for each FeII ion. The polymeric chains inter-act with each other via π-π stacking involving the guest bpe mol-ecules and multiple hydrogen bonds.The title compound DBNB, C24H20N2O6, has been crystallized and studied by X-ray diffraction, spectroscopic and computational techniques. Within the title mol-ecule, that is predicated on a 1,4-distyryl-2,5-di-meth-oxy-benzene core with p-nitro-substituted critical benzene rings, the dihedral perspective between mean airplanes associated with the main fragment and also the terminal phenyl ring is 16.46 (6)°. The crystal packaging is stabilized by π-π inter-actions. DFT calculations during the B3LYP/6-311 G(d,p) level of theory were used to compare the optimized frameworks aided by the experimental information.