In the title mol-ecular salt, (C(4)H(10)NO)(2)[CoCl(4)], the morpholinium cations adopt chair conformations and the tetra-chloridocobaltate(II) anion is significantly distorted from regular tetra-hedral geometry [Cl-Co-Cl = 102.183 (19)-117.59 (2)°]. The Co-Cl bond lengths for the chloride ions not accepting hydrogen bonds are significantly shorter than those for the chloride ions accepting suc...

In the title mol-ecule, [Fe(C(5)H(5))(C(7)H(6)BrO)], the C atoms of the substituted ring have disparate Fe-C bond lengths compared with the unsubstituted ring. In the bromo-acetyl residue, the Br and O atoms are co-planar [the O-C-C-Br torsion angle is 5.7 (4)°] and are syn to each other. Helical supra-molecular chains along the b axis are formed in the crystal structure mediated by C-H⋯O conta...

In the title compound, C(14)H(12)ClNO(3)S·H(2)O, the dihedral angle between the sulfonyl and benzoyl benzene rings is 84.4 (2)°. In the crystal, every water mol-ecule forms four hydrogen bonds with three different mol-ecules of 4-chloro-N-(3-methyl-benzo-yl)benzene-sulfonamide. One of the water H atoms forms a bifurcated hydrogen bond with both the sulfonyl and the carbonyl O atoms of the same ...

In the title compound, C(14)H(13)Cl(2)NO, the 2,6-dichloro-anilino unit is roughly planar (r.m.s. deviation = 0.0298 Å) and makes a dihedral angle of 67.71 (4)° with the benzene ring containing the ethanol group. The C-C-O fragment is oriented at a dihedral angle of 64.94 (9)° with respect to its parent benzene ring. The molecular conformation is stabilised by a bifurcated N-H⋯(O,Cl) hydrogen b...

The title compound, C(7)H(8)N(2)O(3), crystallizes with two independent but essentially identical mol-ecules in the asymmetric unit. Each mol-ecule adopts a trans configuration with respect to the C=N bond. The hydrazinecarboxyl-ate group is twisted from the furan ring by 7.78 (13)° in one mol-ecule and by 7.01 (17)° in the other. In the crystal structure, mol-ecules are linked into chains runn...

Comprehensive Summary Two‐electron reduction of [N 2 NBn]Ti IV Cl ( 3 ) gave a highly reactive N]Ti II species, which underwent C—O bond activation THF (tetrahydrofuran) to generate [O(CH 4 ] through oxidative addition. The resulted Ti –C sp in oxametallacyclohexane was tantamount the elaborately‐designed Ti‐alkyl complexes, competent activate intramolecular C –H bond, forming ortho ‐cyclometal...

The steroid hydroxylases CYP17A1 (P450c17, 17-hydroxylase/17,20-lyase) and CYP21A2 (P450c21, 21-hydroxylase) catalyze progesterone hydroxylation at one or more sites within a 2 Å radius. We probed their hydrogen atom abstraction mechanisms and regiochemical plasticity with deuterium-labeled substrates: 17-[(2)H]-pregnenolone; 17-[(2)H]-, 16α-[(2)H]-, 21,21,21-[(2)H(3)]-, and 21-[(2)H]-progester...

In the solvated title complex, [Ni(C(46)H(47)N(6)O(2))]ClO(4)·2CH(4)O, the coordination sphere around the Ni(II) ion can be described as distorted cis-NiO(2)N(4) octa-hedral defined by two phenolate O atoms and four N atoms from the hexa-dentate ligand. An intra-molecular bifurcated N-H⋯(N,O) hydrogen bond helps to establish the conformation of the complex mol-ecule. In the crystal, the compone...

In the title compound, C(9)H(9)N(3)O(3)S, the benzene ring and the N-carbamothio-ylacetamide unit are oriented at a dihedral angle of 54.82 (4)°. The dihedral angle between the ring and its attached nitro group is 28.54 (12)°. An intra-molecular, bifurcated N-H⋯(O,O) hydrogen bond generates two S(6) rings. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2...

Cobalt-porphyrin-catalysed intramolecular ring-closing C-H bond amination enables direct synthesis of various N-heterocycles from aliphatic azides. Pyrrolidines, oxazolidines, imidazolidines, isoindolines and tetrahydroisoquinoline can be obtained in good to excellent yields in a single reaction step with an air- and moisture-stable catalyst. Kinetic studies of the reaction in combination with ...