The title iron(III) compound, [Fe(C(12)H(21)N(2)Si)(2)Cl], is monomeric. The Fe atom is N,N'-chelated by the N-silylated anilide ligand. The two ligands around the Fe atom are arranged trans to each other. The Fe-N(amino) bond is longer than the Fe-N(anilide) bond by about 0.37 Å. The mol-ecule displays a pseudo-twofold rotation. The five-coordinate Fe atom demonstrates a highly distorted trigo...

In the title compound C13H10ClN3O3S, the benzoyl group maintains its trans conformation against the thiono group about the C-N bond and the intra-molecular hydrogen bond between the benzoyl O atom and thio-amide H atom. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction. In addition, C-H⋯π inter-actions occur between a phenyl H atom and...

The title compound, C(14)H(11)BrN(2)O(5)·2H(2)O, crystallizes as hydrogen-bonded sheets. The 2-hydr-oxy group on the benzyl-idene group forms an intra-molecular hydrogen bond to the N atom of the C=N double bond. The amino N atom is a hydrogen-bond donor to a water mol-ecule. The hydr-oxy group on the benzohydrazide group is a hydrogen-bond donor to one acceptor site, whereas each water mol-ecu...

In the title compound, [Hg(C(12)H(11)N(4)S(2))I(C(12)H(12)N(4)S(2))], the Hg atom is in a distorted square-pyramidal coordination, defined by the iodide ligand, by the S atom of the neutral ligand in the apical position, and by the N atom of the thia-zole ring, the thio-ureido N and the S atom of the deprotonated ligand. The deprotonated ligand intra-molecularly hydrogen bonds to the thia-zole ...

The conformation of the N-H bond in the structure of the title compound, C(8)H(6)Cl(3)NO, is anti to the C=O bond. The N-H H atom shows close intra-molecular N-H⋯Cl hydrogen bonds with both the ring Cl atom in the ortho position and the side-chain Cl atom. The mol-ecules crystallize in planes parallel to (221).

The phosphoryl and carbonyl groups in the title compound, C(23)H(24)F(2)N(3)O(2)P, are anti to each other. The P atom is in a tetra-hedral coordination environment and the environment of each N atom is essentially planar, the average bond angles at the two N atoms being 119.9 and 119.1°. The H atom of the C(=O)NHP(=O) group is involved in an inter-molecular -P=O⋯H-N- hydrogen bond, forming cent...

Abstract: Systematic studies on the substituent effect in para substituted Fe(CO)4–pyridine complexes have been studied on the basis of DFT quantum-chemical calculations. The following substituents were taken into consideration: NO2, CN, CHO, F, H, CH3, and OH. Additionally, the Fe–N and Fe–C bonds were characterized on the basis of Atoms in Molecules topological analysis of electron density. I...

In the title compound, C20H18N2P, the P atom is bonded to the two phenyl and imidazole groups, with an average P-C bond length of 1.828 (2) Å. The three C-P-C bond angles have values consistent with a tetra-hedral geometry around the P atom with the fourth site occupied by a H atom. Crystal packing is through van der Waals inter-actions.

The title compound, C(22)H(24)N(4)O(4)S, adopts a trans configuration with respect to the C=N double bond. A weak intra-molecular C-H⋯N hydrogen bond is observed between the N atom of the C=N double bond and its neighboring phenyl H atom. The crystal structure is stabilized by inter-molecular C-H⋯N hydrogen bonds and C-H⋯π inter-actions.

The title compound, C11H13NO6, exhibits an intra-molecular O-H⋯O=C hydrogen bond between the N-hydroxyl H atom and carbonyl O atom of the neighboring acetyl group. This finding contradicts a previously published model in which the hydrogen bond was postulated to occur with the neighboring carbomethoxy group. This relatively strong hydrogen bond [O-H⋯O: D = 2.5583 (11) Å and θ = 152°] may underl...