Bis(4-amino­benzene­sulfonamide-κN⁴)di­chlorido­zinc

In the title compound, [ZnCl₂(C₆H₈N₂O₂S)₂], the Zn^II ion lies on a twofold rotation axis and has a slightly distorted tetra­hedral coordination geometry, involving two Cl atoms and two N atoms from the amino groups attached directly to the benzene rings [Zn—Cl = 2.2288 (16) Å and Zn—N = 2.060 (5) Å]. The dihedral angle between the benzene rings is 67.1 (3)°. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001). The amine H atoms act as donor atoms and participate in inter­molecular N—H...O and N—H...Cl hydrogen bonds, forming a three-dimensional network.

2-(1,3-Benzodioxol-5-yl)-1H-benzimid­azole

The asymmetric unit of the title compound, C₁₄H₁₀N₂O₂, contains two independent mol­ecules. In each mol­ecule, the benzodioxole ring system displays an envelope conformation, with the methyl­ene C atom located at the flap deviating by 0.081 (2) and 0.230 (2) Å from the mean plane formed by the other atoms. The dihedral angles between the benzo­imidazole ring system (all atoms) and the benzodioxole benzene ring are 15.35 (6) and 10.99 (7)°. In the crystal, mol­ecules are linked by N—H...N hydrogen bonds into chains running along the [101].

A new polymorph of aqua­bis­(1,10-phenanthroline-κ²N,N′)copper(II) dinitrate

The title mol­ecule, [Cu(C₁₂H₈N₂)₂(H₂O)](NO₃)₂, is a new polymorph of a compound which up to now has been reported to crystallize space groups in C2/c and Cc. The crystal studied was twinned by non-merohedry (final BASF factor of 0.40043) with the structure being solved and refined in P-1. The Cu^II atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and an O atom from a water mol­ecule in an approximate trigonal–bipyramidal geometry. Discrete entities of one cation and two nitrate anions are formed by water–nitrate O—H...O hydrogen bonds. The components are further assembled into a three-dimensional network by C—H...O hydrogen bonds.

Bis(2,2′-bipyridyl-κ²N,N′)chloridonickel(II) nitrate trihydrate

In the title hydrated salt, [NiCl(C₁₀H₈N₂)₂](NO₃)·3H₂O, the Ni²⁺ ion is coordinated by two 2,2′-bipyridyl (2,2′-bpy) ligands and a chloride ion in a trigonal–bipyramidal geometry. The chloride ion occupies an equatorial site and the dihedral angle between the 2,2′-bpy ring systems is 72.02 (6)°. In the crystal, the components are linked by C—H...O and O—H...O hydrogen bonds and aromatic π–π stacking inter­actions [shortest centroid–centroid separation = 3.635 (2) Å], generating a three-dimensional network.

Bis(tetra­phenyl­phospho­nium) tetra­chlorido­cobaltate(II)

The title compound, (C₂₄H₂₀P)₂[CoCl₄], was prepared under hydro­thermal conditions. In the crystal, the tetra­phenyl­phospho­nium cations are linked by pairs of weak C—H...π inter­actions into supra­molecular dimers; the Co^II cations lie on twofold rotation axes and the tetra­hedral [CoCl₄]²⁻ anions are linked with the tetra­phenyl­phospho­nium cations via weak C—H...Cl hydrogen bonds.

3-Anilino-5,5-di­methyl­cyclo­hex-2-enone

In the title mol­ecule, C₁₄H₁₇NO, the 5,5-di­methyl­cyclo­hex-2-enone moiety is attached to an aniline group, the dihedral angle subtended [54.43 (3)°] indicating a significant twist. The hexaneone ring has a half-chair conformation with the C atom bearing two methyl groups lying 0.6384 (8) Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0107 Å). The crystal packing can be described as alternating layers parallel to (-101), which are consolidated by N—H...O hydrogen bonds and C—H...π inter­actions.

catena-Poly[[trans-bis­(1,3-benzo­thia­zole-κN)manganese(II)]-di-μ-chlorido]

In the title coordination polymer, [MnCl₂(C₇H₅NS)₂]_n, the Mn^II ion is located on the inter­section of a twofold rotation axis and a mirror plane and adopts an octa­hedral coordination geometry defined by two mutually trans N atoms from benzo­thia­zole ligands which occupy the axial positions, and four Cl atoms which form the equatorial sites. The Mn^II ions are connected by two bridging Cl atoms, forming chains parallel to the c axis. The crystal packing can be descibed as alternating layers parallel to (001) featuring π–π stacking inter­actions with a centroid–centroid distance of 3.6029 (15) Å.

(E)-4-Chloro-2-{[4-(di­methyl­amino)­benzyl­idene]amino}­phenol

In the title aromatic Schiff base compound, C₁₅H₁₅ClN₂O, the mol­ecule exists in a trans conformation with respect to the C=N bond. The dihedral angle between the benzene rings is 14.49 (6)°. In the crystal, weak C—H...π inter­actions link mol­ecules into supra­molecular chains propagated along the a-axis direction.

4-(2-Nitro­benz­yl)-3-phenyl-3,4-di­hydro-2H-1,4-benzoxazin-2-ol

The title compound, C₂₁H₁₈N₂O₄, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules the oxazine ring has an envelope conformation with the hydroxyl-substituted C atom as the flap. The nitro­benzyl ring and the phenyl ring are almost normal to the mean plane of the benzooxazine ring system with dihdral angles of 85.72 (15) and 82.69 (15)°, respectively, in mol­ecule A, and 85.79 (15) and 87.72 (15)°, respectively, in mol­ecule B. The main difference in the conformation of the two mol­ecules concerns the dihedral angle between the nitro­benzyl ring and the phenyl ring, viz. 79.67 (18) in mol­ecule A and 71.13 (18)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked by an O—H...O hydrogen bond. These units are then linked via C—H...O hydrogen bonds, forming sheets lying parallel to (010). Further C—H...O hydrogen bonds link the sheets to form a three-dimensional network. There are also O—H...π and C—H...π inter­actions present, reinforcing the three-dimensional structure.

Crystal structure of (Z)-3-benz­yloxy-6-[(2-hy­droxy-5-methyl­anilino)methyl­idene]cyclo­hexa-2,4-dien-1-one

In the title Schiff base compound, C₂₁H₁₉NO₃, the conformation about the C=C bond is Z. The N—H group and carbonyl O atom form an intra­molecular N—H...O hydrogen bond with an S(6) ring motif. The benz­yloxy ring and the 2-hy­droxy-5-methyl­phenyl ring are inclined to the central six-membered ring by 13.68 (9) and 9.13 (8)°, respectively, and to one another by 21.95 (9)°. In the crystal, mol­ecules are linked by O—H...O hydrogen bonds, forming helical chains along [010].

Crystal structure of 1-methyl-2-[(E)-2-(4-methyl­phen­yl)ethen­yl]-4-nitro-1H-imidazole

In the title mol­ecule, C₁₃H₁₃N₃O₂, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, mol­ecules are linked by weak C—H...N and C—H...O hydrogen bonds, forming layers parallel to (100). A weak C—H...π inter­action connects these layers into a three-dimensional network. A π–π stacking inter­action, with a centroid–centroid distance of 3.5373 (9) Å, is also observed.

Crystal structure of (E)-1-methyl-2-[2-(2-methoxphen­yl)ethen­yl]-4-nitro-1H-imidazole

In the asymmetric unit of the title compound, C₁₃H₁₃N₃O₃, the 2-(2-methoxphen­yl)ethenyl unit is connected to the methyl-nitro­imidazole 1-methyl-4-nitro-1H-imidazole moiety. The mol­ecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by inter­molecular C—H...O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π–π stacking inter­actions are observed, viz. benzene–benzene, imidazole–imidazole and benzene–imidazole rings, with centroid–centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.

Crystal structure of N,N-di­ethyl­benzene-1,4-diaminium dinitrate

In the structure of the title mol­ecular salt, C₁₀H₁₈N₂²⁺·2NO₃⁻, the dinitrate salt of 4-(N,N-di­ethyl­amino)­aniline, the two ethyl groups lie almost perpendicular to the plane of the benzene ring [the ring-to-ethyl C—C—N—C torsion angles are −59.5 (2) and 67.5 (3)°]. The aminium groups of the cation form inter-species N—H...O hydrogen bonds with the nitro O-atom acceptors of both anions, giving rise to chain substructures lying along c. The chains are linked via further N—H...O hydrogen bonds, forming two-dimensional networks lying parallel to (010). These sheets are linked by C—H...O hydrogen bonds, forming a three-dimensional structure.