N'-[(E)-Benzyl-idene]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide.

In the title compound, C(19)H(18)N(4)O(2), the 1,8-naphthyridine ring system is essentially planar [r.m.s. deviation = 0.011 (3) Å]. The dihedral angle between the naphthyridine ring system and the phenyl ring is 28.95 (7)°. The carbohydrazide H atom is involved in an intra-molecular N-H⋯O hydrogen bond, forming a six-membered hydrogen-bonded ring. In the crystal, the mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular C-H⋯O hydrogen bonds.

1-Ethyl-N'-[(E)-4-hydroxy-benzyl-idene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide.

In the crystal structure of the title compound, C(19)H(18)N(4)O(3), the fused-ring system is essentially planar [maximum deviation is 0.031 (2) Å] while the dihedral angle between the ring system and the benzene ring is 12.64 (6)°.The carbohydrazide H atom is involved in an intra-molecular N-H⋯O hydrogen bond, forming a six-membered hydrogen-bonded ring. The mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular O-H⋯O hydrogen bonds.

N-(4-Meth-oxy-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

In the title compound, C(10)H(12)N(2)O(6)S, the nitro group is twisted slightly out of the plane of the aromatic ring, forming a dihedral angle of 20.79 (1)°. In the crystal, the mol-ecules arrange themselves as a chain along the a axis through inter-molecular C-H⋯O inter-actions.

Diaqua-bis(4-bromo-benzoato-κO,O')zinc(II).

The monomeric title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(H(2)O)(2)], contains two 4-bromo-benzoate (BB) ligands and two coordinated water mol-ecules around a Zn(II) atom on a twofold rotation axis. The BB ions act as bidentate ligands, with two very dissimilar coordination distances. The sixfold coordination around the Zn(II) may be described as highly distorted octa-hedral, with the two aqua ligands arranged cis. Hydrogen bonding involving the carboxyl-ate O atoms has an effect on the delocalization in the carboxyl-ate groups. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains parallel to the c axis and stacked along the b axis.

Bis(4-fluoro-benzoato-κO,O')bis-(nicotinamide-κN)zinc(II) monohydrate.

The title compound, [Zn(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)]·H(2)O, is a monomeric complex. It contains two 4-fluoro-benzoate and two nicotinamide ligands and one uncoordinated water mol-ecule. The 4-fluoro-benzoates act as bidentate chelating ligands, while the nicotinamides are monodentate. The six-coordinate geometry around the Zn(II) atom may be described as highly distorted octa-hedral, with the two nicotinamide ligands arranged cis. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular structure.

Diaqua-bis(4-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).

The title compound, [Mn(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], is a monomeric complex with the Mn(II) atom lying on an inversion center. It contains two 4-chloro-benzoate and two diethyl-nicotinamide ligands and two water mol-ecules, all of which are monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the distorted octa-hedral geometry is completed by two N atoms in the axial positions. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into an infinite chain.

Phosphorus-nitrogen compounds. 14. Synthesis, stereogenism, and structural investigations of novel n/o spirocyclic phosphazene derivatives.

The reactions of hexachlorocyclotriphosphazatriene, N3P3Cl6, with N/O donor-type N-alkyl-o-hydroxybenzyl- and o-hydroxynaphthylamines result in novel mono- (3a, 4a and 4b), di- (5a and 5b), and tri- (3b, 6a, and 6b) spirocyclic phosphazene derivatives. The tetrakis-pyrrolidinophosphazene, 3b, has been obtained from the reaction of partly substituted compound 3a with the excess pyrrolidine in tetrahydrofuran. The relationship between the endocyclic NPN (alpha) and exocyclic NPO (alpha') bond angles of the analogous spirocyclic phosphazenes with the deltaP shifts of NPO phosphorus atoms have been presented. It was observed that there is a linearity between alpha angles and deltaP shifts, while no linear relationship has been observed for alpha' angles. In addition, we have found the correlation between Delta(P-N) and deltaNPO shifts, which implies a linear relationship. Delta(P-N)=(a-b), where a and b are the average lengths of two adjacent P-N bonds. The structural investigations of all of the compounds have been made by elemental analyses; mass spectrometry; Fourier transform infrared spectroscopy; one-dimensional 1H, 13C, and 31P NMR; distortionless enhancement by polarization transfer; and two-dimensional correlation spectroscopy, heteronuclear shift correlation, and heteronuclear multiple-bond correlation homo- and heteronuclear correlation techniques. The solid-state structures of 3a, 4a, 4b, and 5a have been determined by X-ray crystallographic techniques. The asymmetric units of compounds 3a and 4a contain two independent molecules, and 3a has strong intermolecular N-H...N hydrogen bonds linking three phosphazene rings. The molecular structure of 6a looks like a propeller where the chemical environment of P1 is different from that of P2 and P3. On the other hand, compounds 5a and 5b are expected to exist as cis- or trans-geometric isomers and to be in cis (meso) or trans (racemic) configurations. The crystallographic and preliminary chiral solvating agents results show that both of them are trans (racemic). In addition, 6a and 6b are also expected to exist as cis-trans-trans- and cis-cis-cis-geometric isomers; both of them are found to be in cis-trans-trans geometries. According to the two-dimensional spectroscopic data, the possible conformations of 3a and 4a in CDCl3 are the same with the solid-state structures.

4,4,6,6-Tetrachloro-2,2-(ethylenedioxydi-o-phenylenediimino)-2lambda5,4lambda5,6lambda5-cyclotriphosphazene.

The title ligand, C14H14Cl4N5O2P3, is a cyclophosphazene lariat (PNP pivot) ether with a spiro-cyclic 11-membered macrocyclic ring containing two ether O and two N atoms; the phosphazene ring is nearly planar. The macrocyclic ring contains a four-centred (trifurcate) N-H...O/N-H...N hydrogen bond, and the relative inner-hole size of the macrocycle is approximately 1.14 A in radius. The molecules are linked about inversion centres by N-H...N hydrogen bonds into centrosymmetric dimers.