organic compounds
Open access
In the title compound, C13H27N4+·I−, the ethylene bridge is distorted from the ideal D2d symmetry wherein an N—C—C—N planar bridge, around whose C—C bond the C—N and C—H bonds are exactly eclipsed, is disordered over two sites with equal occupancies. In both disorder components, the hexyl chain adopts an ideal all-trans conformation. In the crystal, adjacent ions are connected by C—HI hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C—HI interaction.
organic compounds
Open access
The title structure, 3C2H7N4O+·HFPO3−·FPO32−·H2O, contains three independent 2-carbamoylguanidinium cations, one fluorophosphonate, one hydrogen fluorophosphonate and one water molecule. There are three different layers in the structure that are nearly perpendicular to the c axis. Each layer contains a cation and the layers differ by the respective presence of the water molecule, the hydrogen fluorophosphonate and fluorophosphonate anions. N—HO hydrogen bonds between the guanylurea molecules that interconnect the molecules within each layer are strong. The layers are interconnected by strong and weak O—HO hydrogen bonds between the anions and water molecules, respectively. Interestingly, the configuration of the layers is quite similar to that observed in 2-carbamoylguanidinium hydrogen fluorophosphonate [Fábry et al. (2012). Acta Cryst. C68, o76–o83]. There is also present a N—HF hydrogen bond in the structure which occurs quite rarely.
organic compounds
Open access
The title compound, C18H20N2O2, was prepared by Mannich-type reaction of phenol, ethane-1,2-diamine and formaldehyde. The heterocyclic rings adopt half-chair conformations. The acyclic methylene groups attached to the N atoms are in an axial position. In the crystal, weak C—HO hydrogen bonds link the molecules into dimers. These dimers are further connected via C—Hπ contacts.
organic compounds
Open access
In the title molecule, C17H20N2O2, the imidazolidine ring adopts a twist conformation. The mean plane through the five atoms of the imidazolidine ring makes dihedral angles of 70.18 (4) and 74.14 (4)° with the planes of the two aromatic rings. The dihedral angle between the benzene rings is 53.11 (5)°. Both phenol –OH groups form intramolecular hydrogen bonds to the N atoms, with graph-set motif S(6). In the crystal, pairs of O—HO hydrogen bonds link the molecules into dimers with R44(18) ring motifs. The crystal packing is further stabilized by C—HO and weak C—Hπ interactions.
organic compounds
Open access
6,6′-Di-tert-butyl-4,4′-dimethoxy-2,2′-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate
In the title hexahydropyrimidine derivative, C28H42N2O4·0.19H2O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic molecule and a solvent water molecule with occupany 0.095. The molecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water molecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71 (3)°. Two intramolecular O—HN hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure.