In the title compound, C(15)H(13)NO(4), the conjugated double-bond system between the two rings adopts a cis configuration and there is an intra-molecular indole-ketone C-H⋯O inter-action. The indole N-H group forms an inter-molecular hydrogen bond with a ketone O-atom acceptor, giving a chain structure along the ab direction. The O-heterocyclic ring adopts a boat conformation and makes a dihed...

In the title compound, C(47)H(54)N(6)O(2), the C-C-C bond angle between the rings is 108.40 (13)°. One aryl ring aligned at 38.5 (1)° with respect to the N-heterocyclic substituent and the other at 56.0 (1)° with respect to its substituent. In the crystal, adjacent mol-ecules are linked by C-H⋯N hydrogen bonds, forming a chain extending along the a axis.

The coordination geometry of the Pd atom in the title compound, [Pd(SCN)(2)(C(46)H(54)N(4)O(6))], is approximately square-planar. The N-heterocyclic carbene (NHC) metallacrown ether ligand binds to the Pd atom in a trans orientation through the carbene C atoms of the two imidazole rings and generates a 25-membered chelate ring. Two mutually trans S-bound thio-cyanate ligands complete the coordi...

In the mol-ecular structure of the title compound, C(20)H(19)Br(2)NO, the fused six-membered heterocyclic and cyclo-hexane rings adopt a twin-chair conformation with equatorial orientations of all the substituents. Both the ortho-bromo substituents of the benzene rings are oriented towards the carbonyl group; the dihedral angle between the ring planes is 29.13 (3)°. In the crystal structure, th...

The Au(I) atom in the title compound, [Au(C(21)H(24)N(2))(2)](C(24)H(20)B(5)O(6)), adopts a slightly distorted linear AuC(2) coordination geometry arising from its coordination by two mesitylenic N-heterocyclic carbene ligands, forming an overall cationic complex. The dihedral angle between the imidazole rings is 57.3 (6)°. In the crystal, the components are linked by weak C-H⋯O hydrogen bonds.

The title N-heterocyclic carbene derivative, C(23)H(33)N(4) (+)·Cl(-), has been synthesized and characterized by elemental analysis, (1)H and (13)C NMR, IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by three C-H⋯Cl inter-actions. The seven-membered 1,3-diazepane ring has a form inter-mediate between twist-chair and twist-boat.

In the title compound, [Mn(2)(C(8)H(7)O(2))(2)Cl(2)(C(13)H(14)N(2))(4)](n), the two Mn(II) atoms lie on inversion centers and are connected by the N-heterocyclic ligands into a wave-like lamellar framework structure. One Mn(II) atom is covalently bonded to two Cl atoms and the other to two benzyl-acetate anions; both Mn atoms show distorted octahedral coordinations.

The title compound, C(19)H(22)N(2)O(2)S(2), consists of a tetra-cyclic ring system containing an azocine skeleton with methoxy-ethyl and dithiol-ane groups as substituents. The benzene and five-membered N-heterocyclic rings are nearly coplanar, making a dihedral angle of 0.81 (12)°. The dithiol-ane ring adopts an envelope conformation. Inter-molecular N-H⋯O hydrogen-bonding and weak C-H⋯π inter...

The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methyl-e...

Piperazines are found widely in commercially-available compounds and bioactive molecules (including many drugs). However, in the vast majority of these molecules, the piperazine ring is isolated (i.e. not fused to another ring) and is not substituted on any of its carbon atoms. A modular synthetic approach is described in which combinations of cyclic sulfamidate and hydroxy sulfonamide building...