3-[2-(6-Bromo-2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)eth-yl]-1,3-oxazolidin-2-one.

In the title mol-ecule, C(17)H(15)BrN(4)O(2), the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (2) Å, and forms dihedral angles of 37.8 (2) and 35.

1,3-Bis(prop-2-yn-yl)-1H-1,3-benzimid-azol-2(3H)-one.

In the title compound, C(13)H(10)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (1) Å. The two propynyl groups are nearly perpendicular to the benzimidazole plane, making dihedral angles of 85 (3) and 80 (2) °, and point in opposite directions.

(E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

In the title compound, C(17)H(16)O(4), the dihedral angle between the mean planes of the hy-droxy-phenyl and dimeth-oxy-phenyl rings is 5.9 (6)°. The mean plane of the prop-2-en-1-one group makes dihedral angles of 3.

(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth-oxy]-3-eth-oxy-phen-yl}-1-(4-bromo-phen-yl)prop-2-en-1-one monohydrate.

In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water mol-ecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-eth-oxy- and 4-bromo-benzene rings are 86.9 (6) and 85.

(2E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

In the title compound, C(17)H(16)O(4), the dihedral angle between the mean planes of the hy-droxy-phenyl and dimeth-oxy-phenyl rings is 19.34 (7)°. The mean plane of the prop-2-en-1-one group, the active site in this mol-ecule, makes angles of 7.

(2E)-3-(2-Anthracen-2-yl)-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

The asymmetric unit of the title compound, C(23)H(16)O(2), contains two independent mol-ecules in which the dihedral angles between the anthracene ring system and the benzene ring are 73.0 (3) and 73.3 (3)°.

(2E)-3-(4-Chloro-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

In the title compound, C(15)H(11)ClO(2), the dihedral angle between the mean planes of the chloro-benzene and hy-droxy-benzene rings is 6.5 (6)°. The mean plane of the prop-2-en-1-one group makes an angle of 18.

Cinnarizinium dipicrate.

In the cinnarizinium dication of the title compound {systematic name: 1-diphenyl-methyl-4-[(2E)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium bis-(2,4,6-trinitro-phenolate)}, C(26)H(30)N(2) (2+)·2C(6)H(2)N(3)O(7) (-), the piperazine group is protonated at both N atoms and adopts a slightly distorted chair conformation. Strong N-H⋯O(hy-droxy) cation-anion hydrogen bonds link the dication and two anions. In the cation, the (2E)-3-phenyl-prop-2-en-1-yl fragment is disordered over two positions in a ratio of 0.

Lomefloxacinium picrate.

IN THE CATION OF THE TITLE COMPOUND [SYSTEMATIC NAME: (RS)-4-(3-carb-oxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydro-quinolin-7-yl)-2-methyl-piperazin-1-ium 2,4,6-trinitro-phenolate], C(17)H(20)F(2)N(3)O(3) (+)·C(6)H(2)N(3)O(7) (-), the piper-azine ring adopts a slightly distorted chair conformation and contains a protonated N atom. An intra-molecular O-H⋯O hydrogen bond occurs in the cation. The dihedral angles between the mean planes of the six-atom piperazine ring and the 10-atom fused ring system is 43.

Ethyl 2-(4-nitro-benzamido)-benzoate, a non-merohedral twin.

In the title compound, C(16)H(14)N(2)O(5), a non-merohedral twin, the dihedral angle between the mean planes of the two benzene rings is 4.0 (9)°. The ethyl group is disordered [0.

Enrofloxacinium picrate.

There is one cation-anion pair in the asymmetric unit of the title compound [systematic name: 4-(3-carb-oxy-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethyl-piperazin-1-ium 2,4,6-tri-nitro-phenolate], C(19)H(23)FN(3)O(3) (+)·C(6)H(2)N(3)O(7) (-). The six-membered piperazine group in the cation adopts a slightly distorted chair conformation and contains a protonated N atom. The dihedral angles between the mean planes of the cyclo-propyl and piperazine rings in the cation with the 10-atom ring system of the quinolone group are 48.

1-(10H-Phenothia-zin-2-yl)ethanone.

In the title compound, C(14)H(11)NOS, the thia-zine ring adopts a slightly distorted boat conformation. The dihedral angle between the mean planes of the two benzene rings is 20.2 (9)°.

(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(pyridin-2-yl)prop-2-en-1-one.

The mean planes of the benzene and pyridine rings in the title compound, C(15)H(12)BrNO(2), are nearly coplanar, subtending an angle of 2.8 (8)°. The prop-2-en-1-one group is also in the plane of these rings with an N-C-C-O torsion angle of 179.

(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(4-fluoro-phen-yl)prop-2-en-1-one.

The mean planes of the two benzene rings in the title compound, C(17)H(16)FNO, are twisted slightly, making a dihedral angle of 7.8 (1)°. The prop-2-en-1-one group is also twisted slightly with a C-C-C-O torsion angle of -11.

N-(4-Bromo-phen-yl)-4-nitro-benzamide.

In the title compound, C(13)H(9)BrN(2)O(3), the dihedral angle between the mean planes of the two benzene rings is 3.6 (7)°. The amide group is twisted by 28.

Ethane-1,2-diaminium dipicrate dihydrate.

The title compound, C(2)H(10)N(2) (2+)·2C(6)H(2)N(3)O(7) (-)·2H(2)O, crystallizes with a complete picrate anion and half an ethyl-enediammonium dication on a mirror plane, and two half-water mol-ecules (both on a mirror plane) in the asymmetric unit. The N atoms from separate half ethyl-enediammonium dications are in near proximity to a phenolate O atom and two o-NO(2) groups from the picrate anion, which, along with the water mol-ecule form N-H⋯O, O-H⋯O and weak intermolecular C-H⋯O hydrogen bonds that create cyclic patterns with graph-set descriptors R(2) (4)(8), R(4) (4)(12), and R(4) (4)(16). The crystal packing is strongly influenced by these inter-molecular inter-actions between symmetry-related water mol-ecules, the half ethyl-enediammonium dication and the picrate anion, forming a three-dimensional supermolecular structure.

3-(4-Chloro-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one.

The crystal structure of the title compound, C(25)H(18)ClNO, shows that the mol-ecules are isolated and not involved in inter-molecular C-H⋯O or C-H⋯Cl inter-actions. However, the phenyl and quinoline rings are involved in π-π inter-actions [centroid-centroid distance = 3.8829 (9) Å].

The synthesis and characterization of [IMesH](+)[(eta(3)-C(5)H(5))V(N)Cl(2)](-): An anionic vanadium(v) complex with a terminal nitrido ligand.

A series of new half-sandwich vanadium complexes have been prepared. The structures of two new anionic vanadium half-sandwich complexes, [CpVCl(3)](-) and [CpV(N)Cl(2)](-) are presented. (15)N isotopic labelling studies have been conducted to unambiguously assign the V[triple bond, length as m-dash]N infra red stretching frequencies of both a neutral and an anionic (cyclopentadienyl)vanadium nitrido complex.

1-[2-(2-Bromo-phen-yl)eth-yl]-4-chloro-2-nitro-benzene.

In the title mol-ecule, C(14)H(11)BrClNO(2), the dihedral angle between the mean planes of the bromo-substitued benzene and the chloro-substituted benzene rings is 1.8 (4) °. The nitro group is twisted by 15.

Levocetirizinium dipicrate.

There are two cation-dianion pairs in the asymmetric unit of the title compound, C(21)H(27)ClN(2)O(3) (2+)·2C(6)H(2)N(3)O(7) (-) {systematic name: 1-[2-(carb-oxy-meth-oxy)eth-yl]-4-[(R)-(4-chloro-phen-yl)phenyl-meth-yl]piperazine-1,4-diium bis-(2,4,6-trinitro-phenol-ate)}. The piperazine group in the levocetirizinium cation is protonated at both N atoms. The acetyl end groups form R(2) (2)(8) hydrogen-bonded motifs with adjacent cations.

(2E)-1-(3-Bromo-phen-yl)-3-(4,5-dimeth-oxy-2-nitro-phen-yl)prop-2-en-1-one.

In the title compound, C(17)H(14)BrNO(5), the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimeth-oxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimeth-oxy-2-nitro-phenyl rings are 6.

N,N-Bis[(2-chloro-6-methyl-quinolin-3-yl)methyl-idene]ethane-1,2-diamine.

The title mol-ecule, C(24)H(20)Cl(2)N(4), lies on an inversion center in an extended trans conformation. In the crystal, weak C-H⋯Cl inter-actions connect the mol-ecules into chains along [010].

(1E)-1-(3-Bromo-phen-yl)ethanone 2,4-di-nitro-phenyl-hydrazone.

The title compound, C(14)H(11)BrN(4)O(4), contains 3-bromo-phenyl and 2,4-dinitro-phenyl groups on opposite sides of a hydrazone unit and crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the two ring systems in each mol-ecule are 2.0 (1) and 2.

4-Phenyl-sulfon-yl-2-(p-tolyl-sulfon-yl)-1H,8H-pyrrolo-[2,3-b]indole.

The title compound, C(23)H(18)N(2)O(4)S(2), contains a pyrrolo group fused onto the plane of an indole ring with phenyl-sulfonyl and p-toluene-sulfonyl groups bonded to the indole and pyrrolo rings. The angles between the mean planes of the pyrrolo-indole ring and the phenyl-sulfonyl and p-toluene-sulfonyl rings are 73.7 (6) and 80.

Tris(ethane-1,2-diamine-κN,N')cobalt(III) carbonate iodide tetra-hydrate.

The title compound, [Co(C(2)H(8)N(2))(3)](CO(3))I·4H(2)O, crystallizes with a [Co(en)(3)](3+) cation (en is ethane-1,2-diamine), CO(3) (2-) and I(-) anions and four water mol-ecules in the asymmetric unit. In the cation, the three rings formed by the ethyl-enediamine units and the Co(III) metal ion are in slightly distorted twist conformations. Numerous O-H⋯O, N-H⋯O, N-H⋯I and O-H⋯I inter-molecular hydrogen bonds between the cation and two anions in concert with the four water mol-ecules dominate the crystal packing and create a supra-molecular infinite three-dimensional framework.