1-Hexyl-1,3,6,8-tetra­aza­tricyclo­[4.3.1.1^3,8]undecan-1-ium iodide

In the title compound, C₁₃H₂₇N₄⁺·I⁻, the ethyl­ene bridge is distorted from the ideal D_2d 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—H...I hydrogen bonds, forming ionic pairs that are further linked into chains along [101] via a second C—H...I inter­action.

Tris(2-carbamoylguanidinium) hydrogen fluoro­phospho­nate fluoro­phospho­nate monohydrate

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—H...O hydrogen bonds between the guanylurea mol­ecules that inter­connect the mol­ecules within each layer are strong. The layers are inter­connected by strong and weak O—H...O 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—H...F hydrogen bond in the structure which occurs quite rarely.

3,3′-(Ethane-1,2-di­yl)bis­(3,4-dihydro-2H-1,3-benzoxazine)

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—H...O hydrogen bonds link the mol­ecules into dimers. These dimers are further connected via C—H...π contacts.

2,2′-[Imidazolidine-1,3-diylbis(methyl­ene)]diphenol

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—H...O hydrogen bonds link the mol­ecules into dimers with R₄⁴(18) ring motifs. The crystal packing is further stabilized by C—H...O and weak C—H...π inter­actions.

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—H...N hydrogen bonds with graph-set motif S(6) are present. No remarkable inter­molecular contacts exist in the crystal structure.

1,1′-[(2-Phenyl-2,3-dihydro-1H-benz­imidazole-1,3-di­yl)bis­(methyl­ene)]bis­(1H-benzotriazole)

The imidazole ring in the title compound, C₂₇H₂₂N₈, adopts a slight envelope conformation with the C atom carrying the phenyl ring being the flap atom. The phenyl ring is almost perpendicular to the mean plane of the imidazole ring [dihedral angle = 88.90 (7)°]. The (1H-benzotriazol-1-yl)methyl groups bound to the imidazole ring are positioned on the same side of the imidazole ring. The dihedral angle between these benzotriazolyl rings is 17.71 (5)°. The crystal packing is stabilized by a C—H...π inter­action, which connects the mol­ecules into zigzag chains running along the b axis.

1,1′-[Imidazolidine-1,3-diylbis(methyl­ene)]bis­(1H-benzotriazole)

In the title compound, C₁₇H₁₈N₈, the imidazolidine ring adopts an envelope conformation with the substituents at the N atoms in trans positions with respect to the central ring. The dihedral angle between the two benzotriazole rings is 71.65 (10)°. In the crystal, non-classical C—H...N inter­actions link the mol­ecules into helical chains along the b axis. The crystal packing is further stabilized by weak C—H...π inter­actions.

2,2′-[1,3-Diazinane-1,3-diylbis(methyl­ene)]bis­(4-bromo­phenol)

The title compound, C₁₈H₂₀Br₂N₂O₂, the heterocyclic ring adopts a chair conformation. The benzene rings make dihedral angles of 86.84 (10) and 60.73 (10)° with the mean plane of the heterocyclic ring. The dihedral angle between the two benzene rings is 79.77 (10)°. The mol­ecular structure is stabilized by two intra­molecular hydrogen bonds between the phenolic hy­droxy groups and N atoms with graph-set motif S(6). The crystal structure is stabilized by weak C—H...π inter­actions.

(1H-Benzimidazol-1-yl)methanol

In the title compound, C₈H₈N₂O, the N—CH₂ and CH₂—O bond lengths can be correlated to the manifestation of an anomeric effect in the N—CH₂—O moiety. In the crystal, inter­molecular O—H...N hydrogen bonds link the mol­ecules into zigzag chains, with graph-set motif C(6), parallel to [001]. These chains are further linked into sheets by weak nonclassical C—H...O hydrogen bonds.

6,6′-Dimethyl-2,2′-[1,3-diazinane-1,3-diyl­bis(methyl­ene)]diphenol

In the mol­ecule of the title compound, C₂₀H₂₆N₂O₂, the 1,3-diazinane ring adopts a slightly distorted chair conformation and the hy­droxy­benzyl substituents occupy equatorial positions on the N atoms of the heterocyclic ring. There are two intra­molecular O—H...N hydrogen bonds between the N atoms of the 1,3-diazinane ring and the hy­droxy groups of the aromatic rings, with an S(6) set-graph motif. However, the two observed intra­molecular hydrogen-bond distances were different. Considering that both N atoms experience the same chemical environment, it is surprising to see the difference in O...N distances [2.6771 (14) and 2.8123 (12) Å]. The crystal structure is further stabilized by a C—H...π interaction.

[N,N′-Bis(2,6-dichloro­benzyl­idene)propane-1,3-diamine-κ²N,N′]dibromidozinc

In the title compound, [ZnBr₂(C₁₇H₁₄Cl₄N₂)], the Zn^II ion is bonded to two bromide ions and two N atoms of the diimine ligand and displays a moderately distorted tetra­hedral coordination geometry. The Schiff base ligand acts as a chelating ligand and coordinates to the Zn^II atom via two N atoms.

[4-Bromo-N-(pyridin-2-yl­methyl­idene)aniline-κ²N,N′]iodido(triphenyl­phosphane-κP)copper(I)

In the title compound, [CuI(C₁₂H₉BrN₂)(C₁₈H₁₅P)], the Cu^I ion is bonded to one I atom, one triphenyl­phosphane P atom and two N atoms of the diimine ligand in a distorted tetra­hedral geometry. The Schiff base acts as a chelating ligand and coordinates to the Cu^I atom via two N atoms. In the diimine ligand, the dihedral angle between the pyridine and bromo­phenyl rings is 19.2 (2)°. In the crystal, mol­ecules are connected by π–π stacking inter­actions between inversion-related pyridine rings [centroid–centroid distance = 3.404 (3) Å].

[N,N′-Bis(2,3,4-trimeth­oxy­benzyl­idene)­ethane-1,2-diamine-κ²N,N′]dibromido­mercury(II)

In the title compound, [HgBr₂(C₂₂H₂₈N₂O₆)], the Hg^II ion is bonded to two Br⁻ ions and two N atoms of the chelating Schiff base ligand in a distorted tetra­hedral geometry. The Schiff base ligand adopts an E,E conformation. The dihedral angle between the planes of the two halves of the central N,N′-dimethyl­ethylenediamine part of the ligand is 2.3 (11)°. The crystal studied was twinned by pseudomerohedry [twin law (0-10/-100/00-1)]; the contribution of the minor twin component refined to 0.208 (3).

6H,13H-5,12:7,14-Dimethano­dinaphtho­[2,3-d:2,3-i][1,3,6,8]tetra­azecine

In the title compound, C₂₄H₂₀N₄, obtained through the condensation of naphthalene-2,3-diamine with formaldehyde in methanol, the mol­ecule is located on a special position of site symmetry -4. Due to symmetry considerations, the aromatic rings are strictly perpendicular to each other. In the crystal, mol­ecules are linked by pairs of C—H...π inter­actions into columns along [110].

N-[Amino(imino)methyl]uronium tetrafluoroborate

In the title compound, C₂H₇N₄O⁺·BF₄⁻, inter­molecular N—H...O hydrogen bonds connect the cations into chains parallel to the c axis, with graph-set motif C(4). These chains are in turn connected into a three-dimensional network by inter­molecular N—H...F hydrogen bonds. The B—F distances distances in the anion are not equal.

1,3-Dinitro­soimidazolidine

The title compound, C₃H₆N₄O₂, exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relative syn spatial arrangement [O=N...N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has an anti disposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH₂—CH₂—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H...O hydrogen bonds.

2-[(4-Meth­oxy-2-nitro­phen­yl)imino­meth­yl]phenol

The crystal structure of the title compound, C₁₄H₁₂N₂O₄, contains four crystallographically independent mol­ecules in the asymmetric unit. All the mol­ecules have similar conformations; the dihedral angles between the aromatic rings are 33.1 (1), 33.76 (9), 31.41 (9) and 32.56 (10)°. Intra­molecular O—H...N hydrogen bonds form S(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related mol­ecules. Along the c axis, mol­ecules are stacked with π–π inter­actions between the 2-hy­droxy­phenyl and 4-meth­oxy-2-nitro­phenyl rings [centroid–centroid distances = 3.5441 (12)–3.7698 (12) Å].

(E)-4-[(4-Bromo­phen­yl)imino­meth­yl]-2-meth­oxy­phenol

In the crystal structure of the title compound, C₁₄H₁₂BrNO₂, the dihedral angle between the rings is 37.87 (10)° and the mol­ecule has an E conformation about the central C=N bond. In the crystal, mol­ecules are connected by inter­molecular O—H...N hydrogen bonds into zigzag chains running parallel to the b axis. The packing also features C—H...O inter­actions.

4-[(E)-(4-Eth­oxy­phen­yl)imino­meth­yl]phenol

In the title compound, C₁₅H₁₅NO₂, the dihedral angle between the benzene rings is 52.04 (5)° and the mol­ecule has an E conformation about the central C=N bond. In the crystal, mol­ecules are connected by O—H...N hydrogen bonds, forming zigzag chains along the b axis. The crystal packing also features weak C—H...O inter­actions.