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The phosphatase domain (PA3346PD) of the response regulator PA3346 modulates the downstream anti-anti-σ factor PA3347 to regulate swarming motility in Pseudomonas aeruginosa PAO1. PA3346PD, which comprises the protein phosphatase 2C domain (PP2C), is classified as a Ser/Thr phosphatase of the Mg2+- or Mn2+-dependent protein phosphatase (PPM) family. The recombinant PA3346PD, with molecular mass 26 kDa, was overexpressed in Escherichia coli, purified on an Ni2+-NTA agarose column and crystallized by the sitting-drop vapour-diffusion method. X-ray diffraction data were collected from PA3346PD crystals to a resolution of 2.58 Å and the crystals belonged to space group I4132 or I4332, with unit-cell parameter a = 157.61 Å. Preliminary analysis indicates the presence of a monomer of PA3346PD in the asymmetric unit with a solvent content of 58.4%. [ABSTRACT FROM AUTHOR]

Pb(II) and Cd(II) complexes, {[Pb2(PDTS)2(CH3OH)((H2O)2] ⋅ H2O}n (1) and [Cd(PDTS)(H2O)4] ⋅ 2H2O (2) (PDTS2- = 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonate), are synthesized and characterized by elemental analysis, infrared (IR), 1H-NMR spectroscopy, and thermal analysis. The single-crystal structure of 1 shows that the complex forms a 2-D polymeric network containing two types of Pb2+ with coordination number eight (PbN2O6). Both possess hemidirected coordination geometries. The single-crystal structure of 2 shows distorted octahedral geometry for cadmium(II), CdN2O4. These compounds are the first complexes of “PDTS2-”. The supramolecular features in these complexes are guided/controlled by hydrogen bonding and noncovalent intermolecular interactions. [ABSTRACT FROM AUTHOR]

Two new Pb(II) complexes, [Pb(TPT)(NO3)2]n (1) and [Pb(TPT)2(ClO4)(H2O)] · ClO4 · H2O (2) (TPT is the abbreviation of 3,5,6-tris(2-pyridyl)-1,2,4-triazine), have been synthesized and characterized by single-crystal X-ray diffraction. Lead(II) in the compounds of 1 and 2 is nine coordinate (rare mode), PbN3O6 and PbN6O3, respectively. Both have hemidirected coordination geometries. The supramolecular features in these complexes are guided/controlled by hydrogen bonding and weak directional intermolecular C-H ··· O and π ··· π interactions. The thermal stabilities of 1 and 2 were investigated by thermogravimetric measurements. [ABSTRACT FROM AUTHOR]

The title compound Cd8(OH)8(SO4)4 (1) obtained under hydrothermal conditions by reacting Cd(OH)2 with 4-aminobenzenesulfonic acid in an aqueous ethanol solution was confirmed by single-crystal X-ray diffraction. Crystal data: P21/c with a = 6.8984(4), b = 7.5640(4), c = 11.3919(5) Å, β = 119.763(2)°, V = 516.01(5) Å3, H8Cd8O24S4, Mr = 1419.50, Z = 1, Dc = 4.568 Mg m−3, μ = 8.595 mm−1, F(000) = 648, R = 0.023, wR = 0.060 for 1208 observed reflections [I > 2σ(I )]. The crystal structure of complex 1 forms a three-dimensional (3-D) framework. [ABSTRACT FROM AUTHOR]

The title compound, C13H8Cl2O2, crystallizes with two independent molecules in the asymmetric unit. Each of the two unique molecules is twisted about the C—C single bonds, making dihedral angles of 24.29 (5) and 73.01 (5)° between the two rings. In the crystal structure, the molecules are interlinked into columns along the b axis by intermolecular O—H...O and C—H...O interactions and short Cl...Cl and O...Cl contacts. In addition, the crystal packing is further stabilized by weak C—H...π interactions. [ABSTRACT FROM AUTHOR]

In the title compound, C24H19NO3, the six-membered ring with the methyl substituents is in an envelope conformation. The crystal structure is stabilized by C—H...O, C—H...π and π–π interactions; the latter involve centroid–centroid distances of 3.680 (1) and 3.802 (1) Å. [ABSTRACT FROM AUTHOR]

The title cocrystal, 0.75C30H51O·0.25C30H50O, is a disordered mixture of two compounds, viz friedelan-3β-ol and friedelin, which were isolated from Artocarpus altilis. The compound crystallizes with two disordered molecules in the asymmetric unit. In both components, three of the five cyclo­hexane rings adopt chair conformations, one adopts a twist-boat conformation and the fifth is in a boat conformation. [ABSTRACT FROM AUTHOR]

In the title compound, C15H11Cl4NO4, the isoindole unit is planar. The dihedral angle between the isoindole unit and the furan ring is 84.91 (4)°. The mol­ecules are linked via inter­molecular O—H⋯O hydrogen bonds, forming a three-dimensional network. π–π Inter­actions are also observed in the crystal structure. [ABSTRACT FROM AUTHOR]

The title compound, C18H18O4, was obtained as by-product in a search for nonlinear optical chalcones. In the molecule, the two benzene rings make a dihedral angle of 37.20 (8)°. The crystal packing exhibits weak intermolecular C—H...O interactions. [ABSTRACT FROM AUTHOR]

In the title molecule, C15H9BrClFO, the dihedral angle between the two benzene rings is 22.7 (1)°. The crystal structure is stabilized by intermolecular C—H...F interactions and short Br...Cl contacts [Br...Cl = 3.579 (1) Å]. The compound can potentially exhibit second-order nonlinear optical properties as it crystallizes in a noncentrosymmetric space group. [ABSTRACT FROM AUTHOR]

The title compound, C19H21NO3, is a chalcone derivative which crystallizes with four independent molecules in the asymmetric unit. The dihedral angles between the two benzene rings are in the range 31.73 (14)–38.62 (16)° in the four molecules. In all the molecules, the two methoxy groups deviate slightly from the mean planes of the attached benzene rings. One methyl of the dimethylamino group is coplanar while the other is not coplanar with the attached benzene rings in two of the molecules, whereas in the other two molecules both methyl groups of the dimethylamino group are twisted out of the planes of the attached benzene rings. Weak C—H...O intramolecular interactions involving the enone unit generate S(5) ring motifs. In the crystal structure, the molecules are arranged into chains along the c axis. These chains are stacked along the b axis. The crystal structure is stabilized by weak C—H...O intra- and intermolecular interactions, together with C—H...π interactions. [ABSTRACT FROM AUTHOR]

In the title compound, C17H16N2O3, the dihedral angle between the benzene rings is 1.56 (7)°. The nitro group is coplanar with the attached benzene ring while the dimethylamino group is twisted slightly away from the attached benzene ring. A weak intramolecular C—H...O hydrogen bond is present in the molecular structure. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonds, forming chains along the [011] direction. [ABSTRACT FROM AUTHOR]

In the title compound, C19H20O5, the dihedral angle between the benzene rings is 5.92 (6)°. The molecules are linked by two pairs of C—H...O hydrogen bonds into a centrosymmetric dimer of R21(6) ring motif. In addition, the crystal structure is stabilized by C—H...π interactions. [ABSTRACT FROM AUTHOR]

The title compound, C20H32O2, a diterpenoid, was isolated from the roots of Bruguiera cylindrica (Rhizophoraceae). There are two crystallographically independent mol­ecules in the asymmetric unit. In both mol­ecules, the cyclo­hexane rings adopt chair conformations and the cyclo­pentane ring has an envelope conformation. In the crystal structure, mol­ecules are linked into a two-dimensional network by inter­molecular O—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title compound, [CuCl2(C20H14N4)], the coordination around the Cu atom is approximately square-planar. The dihedral angle between the pyridine and triazine rings is 5.26 (5)°. The crystal structure is stabilized by C—H⋯Cl inter­actions. [ABSTRACT FROM AUTHOR]

The title compound, C17H16BrNO, adopts an E configuration. The dihedral angle between the two benzene rings is 49.17 (13)°. Intra­molecular C—H⋯O weak inter­actions are present in the crystal structure. The mol­ecules are arranged in double layers parallel to the bc plane. These double layers are stacked in an anti-parallel fashion along the a axis. The crystal structure is stabilized by intra­molecular C—H⋯O weak inter­actions. C—H⋯π inter­action are also observed in the crystal packing. [ABSTRACT FROM AUTHOR]

In the title compound, C17H16O3, the dihedral angle between the benzene rings is 10.05 (9)°. Inter­molecular C—H⋯O hydrogen bonds link the mol­ecules to form chains along the b axis. The crystal structure is further stabilized by C—H⋯π inter­actions. [ABSTRACT FROM AUTHOR]

In the title compound, C15H10BrClO, the dihedral angle between the benzene rings is 46.70 (5)°. The crystal structure is stabilized by Br⋯Br and Cl⋯Cl contacts and C—H⋯π inter­actions. [ABSTRACT FROM AUTHOR]

In the title compound, C7H6ClFN2S, the dihedral angle between the benzene ring and the thio­urea group is 63.62 (3)°. The crystal structure is stabilized by inter­molecular N—H⋯Cl/S hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title compound, C16H12Cl2O2, the dihedral angle between the benzene rings is 44.59 (3)°. In the crystal structure, the mol­ecules form layers parallel to the ac plane which propagate down the b axis and which are stabilized by short Cl⋯Cl inter­actions. [ABSTRACT FROM AUTHOR]

Abstract: Two novel 1D polymeric Pb(II) complex containing the Pb2-(μ-N3)2 units, [Pb(phen)(N3)2] n (1) and [Pb(deta)(N3)·(N3)] n (2) (deta and phen are the abbreviations of diethylentriamine and 1,10-phenanthroline, respectively) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds of (1) and (2) are six, PbN6, and five, PbN5, coordinated polymers, respectively. Both of them hold hemidirected coordination geometries. To the best of our knowledge, these 1D coordination polymers are the novel Pb2-(μ-N3)2 units of lead(II) compounds and interact with each other via π–π stacking and weak Pb⋯N interactions to create 3D and 2D frameworks. [Copyright &y& Elsevier]

Abstract: Under hydrothermal conditions, the reaction of 3,5-diaminobenzoic acid (HDABC) with Cd(ClO4)2∼6H2O affords a novel 2D network, {[Cd(DABC)2][Cd(DABC)2(H2O)2]}n (1), which, represents the first example of 2D neutral polymeric material containing DABC ligand with strong blue fluorescent emission in the solid state. [Copyright &y& Elsevier]

In the title compound, C23H15NO4, the five fused rings are essentially coplanar. The crystal structure is stabilized by inter­molecular C—H⋯O and π–π inter­actions. [ABSTRACT FROM AUTHOR]

The thio­phene ring of the title compound, C13H9BrOS, is disordered. The disorder corresponds to an approximate 180° rotation of the thio­phene ring with respect to the C—C bond linking it to the rest of the mol­ecule. The crystal packing is stabilized by inter­molecular C—H⋯Br and C—H⋯π inter­actions, together with short S⋯Br contacts. [ABSTRACT FROM AUTHOR]

The title mol­ecule, C18H17ClO4, deviates slightly from planarity with a dihedral angle of 27.18 (11)° between the rings. The crystal structure is stabilized by inter­molecular C—H⋯O and C—H⋯Br inter­actions. [ABSTRACT FROM AUTHOR]

In the title compound, C7H6N4O4, the mol­ecule is essentially planar and the nitro groups are nearly coplanar with the benzene ring. The crystal structure is stabilized by inter­molecular C—H⋯O, N—H⋯O and C—H⋯N inter­actions, as well as by short O⋯O and O⋯N contacts. [ABSTRACT FROM AUTHOR]