4-Bromo-2-chloro­aniline

The title compound, C6H5BrClN, is almost planar (r.m.s. deviation = 0.018 Å). In the crystal, mol­ecules are linked by inter­molecular N—H⋯N and weak N—H⋯Br hydrogen bonds, generating sheets

Hydro(solvo)thermal construction of a copper coordination polymer involving in situ ligand synthesis: Preparation and Structure of [Cu-3(bdcO)(2)(H2O)(2)](n)

A hydro(solvo)thermal reaction of 1,3-benzenedicarboxylic acid (bdcH(2)) and CuSO4.5H(2)O produced a coordination polymer [Cu-3(bdcO)(2)(H2O)(2)](n) 1. The alkoxyl-1,3-benzene-dicarboxylate trianion (bdcO(3-)) found in the final product was in situ generated by the hydroxylation of bdcH(2) during the synthesis. Its crystal structure has been determined by X-ray structural analysis. The complex belongs to a monoclinic system, space group P2(1)/c with C16H10Cu3O12, M-r = 584.86, a = 5.0349(3), b = 10.422(1), c = 15.639(1) angstrom, beta = 91.977(2)degrees, V = 820.1(1) angstrom(3), Z = 2, D-c= 2.368 g/cm(3), mu = 3.931 mm(-1), lambda(MoK alpha) = 0.71073 angstrom, F(OOO) = 578, the final R = 0.0328 and wR = 0.0742 for 1730 observed reflections with 1 >=,2 sigma(I). The copper atoms show different coordination environments. Each bdcO group is binds to three copper atoms through oxygen atoms of carboxylates and deprononated hydroxy group in bridging and chelating fashions, affording a copper atom coordinated by two [Cu-2(bdcO)(2)](2-), matallo-ligand' to yield an extending zigzagged layer perpendicular to the c axis

Assembly of Ag(I) polymers with thioether-S binding and homochiral helices

A novel coordination polymer [Ag(pyta)](n) (pyta(-) = 4-pyridylthioacetate) containing bound thioether sulfurs and single-stranded helical chains has been synthesized and structurally characterized

Synthesis, crystal structure, fluorescent and thermal properties of sodium tridecafluorodizirconate Na5Zr2F13 compound

Crystals of sodium tridecafluorodizirconate Na5Zr2F13 were synthesized under mild hydrothermal conditions, and the structure was refined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic with crystallographic data: M-r = 544.39, C2/m (No.12), a = 11.5600(9), b = 5.4759(4), c = 8.3989(6) angstrom, beta = 97.361 (10)degrees, V = 527.28(7) angstrom(3), Z = 2, D-c = 3.429 g/cm(3), lambda = 0.71073 angstrom, mu = 23.48 cm(-1), F(000) = 504, T = 295 K, R-1 = 0.0173 and wR(2) = 0.0449 for 55 variables and 682 contributing unique reflections. The crystal structure is constituted with six- and eight-fold sodium atoms, forming irregular trigonal prisms and irregular cubes, respectively. Here, the zirconium atoms are connected with seven fluorine atoms to form a mono-capped trigonal prism. [Zr2F13](5-) complex ions formed by corner-shared [ZrF7](3-) are corner- and edge-shared to [Na4F22] and [Na3F8] cages, leading to the network structure. Thermal analysis, X-ray excited luminescence and photoluminescence under UV light measurements were conducted on Na5Zr2F13 crystals

Hydrothermal synthesis and crystal structure of Na2In2[PO3(OH)]4·H2O with a new structure type

A sodium indium hydrogen phosphate hydrate, Na2In2[PO3 (OH)](4).H2O, was synthesized under mild hydrothermal conditions, and the crystal structure was characterized by the single-crystal X-ray diffraction method. The structure is of a new type with the following data: Mr = 794.775, triclinic, aP62, P-1 (No. 2), a = 9.3013(1) Angstrom, b = 9.4976(1) Angstrom, c = 9.2685(7) Angstrom, alpha = 98.710(4)degrees, beta = 98.953(4)degrees gamma = 60.228(6)degrees V = 699.42(5) Angstrom (3), Z = 2, D-x = 3.217 g cm(-3), lambda = 0.71073 Angstrom, mu = 39.1 cm(-1), F(000) = 644, T = 293 K, R = 0.0551, wR = 0.1528 for 245 variables and 4559 contributing unique reflections. The structure is characterized by corner-sharing InO6 and PO4H polyhedra forming a three-dimensional network with infinite channels along the [100] direction, where sodium cations and water molecules reside through hydrogen bonds. The topological construction of the title structure can be considered closely related to an augmented corundum network and the augmentation of the 4, 6 net has largely increased the porosity of the compound. The thermal stability investigation shows that the compound loses its water molecules around 365 degreesC and is nonzeolitic in character. (C) 2001 Academic Press

铟硼磷酸盐结构中的交叠生长规律研究

Several indium borophosphates have been reported recently, including KIn[BP2O8(OH)](I) and NaIn[BP2O8(OH)](H). The latter two compounds were synthesized under mild hydrothermal conditions, and have the same molar ratio (M-I:In:B:P:O:H) in molecular formula but with different structure types. Compound I crystallizes in the triclinic system with space group P (1) over bar (No.2), a=0.52638(4) nm, b=0.84791(5) nm, c=0.81469(9) nm, alpha=91.1741(7)degrees, beta=93.061(7)degrees, gamma=79.823(5)degrees, V=0.3573 nm(3), Z=2; while compound II possesses a monoclinic structure with space group P2(1)/n (No.14) with a=0.5177(1) nm, b=1.6815(3) nm, c=0.7684(2) nm, beta=94.10(3)degrees, V=0.6672(2) nm(3), Z=4. Eight- membered-ring and six-membered-ring are formed by alternating borate, phosphate tetrahedra and In-coordination octahedron sharing corners via common oxygen atoms in compound I and H respectively. The polyhedra in the structure are oriented along certain direction to form alternating layered fragments. These two structure types can be considered as intergrowth structures, which consist of the same layered fragments growing in different orientations. Other structure intergrowth possibilities are also expected in similar systems

Study of the interaction of disubstituted cucurbit[6]uril with 2-(aminomethyl)pyridine

Interaction and structure of a host-guest inclusion complex of symmetrical tetramethyl substituted cucurbit[6]uril (TMeQ[6]) with 2-(aminomethyl)pyridine (amp) have been studied by using H-1 NMR technique, UV-visible spectrophotometry and single crystal X-ray diffraction determination. The experimental results from H-1 NMR and UV-visible spectra revealed that the amp as a guest enters into the cavity of TMeQ[6] to form a host-guest inclusion complex of TMeQ[6] and amp with a constant ratio of 1:1. The single crystal X-ray diffraction determination further confirmed the conclusions

Heat transfer correlations for jet impingement boiling over micro-pin-finned surface

Heat transfer performance of submerged jet impingement boiling over staggered micro-pin-finned surfaces was investigated using air-dissolved FC-72. The dimension of the silicon chips is 10 × 10 × 0.5 mm3 (length × width × thickness) on staggered micro-pin-fins with four dimensions of 30 × 30 × 60 μm3, 50 × 50 × 60 μm3, 30 × 30 × 120 μm3 and 50 × 50 × 120 μm3 (width × thickness × height, named S-PF30-60, S-PF50-60, S-PF30-120, and S-PF50-120) were fabricated by using the dry etching technique. The effects of micro-pin-fins, jet-to-target distance (H = 3, 6, and 9 mm), and jet Reynolds number (Re = 2853, 5707, and 8560) on jet impingement boiling heat transfer performance were explored. For comparison, experiments with jet impinging on a smooth surface were also conducted. The results showed that all micro-pin-finned surfaces show better heat transfer performance than that of a smooth surface. The largest Nusselt number is 1367, corresponding to a heat transfer coefficient of 26387 W·m−2·K−1 with S-PF30-120 at Re = 8560, H/d = 2, and q = 151 W·cm−2, which is approximately twice the largest Nusselt number of Chip S. In the single-phase heat-transfer-dominant region, the Nusselt number (Nu) is mainly influenced by several dimensionless numbers, including Reynolds number (Re), boiling number (Bo), the ratio of jet-to-target distance to jet diameter (H/d), the ratio of micro-pin-finned surface area to smooth surface area A/AS, and a dimensionless number corresponding to flow resistance Dh/Lh. Correlations to predict Nu in both single-phase heat-transfer-dominant region and two-phase heat-transfer-dominant region for smooth and micro-pin-finned surfaces were proposed. The results show that most data (96%) in the single-phase heat-transfer-dominant region and most data (96%) in the two-phase heat-transfer-dominant region were predicted within ±13% and ±15%, respectively. In addition, CHF correlations for smooth and micro-pin-finned surfaces were also proposed, and most data (95%) are predicted within ±20% for a smooth surface and all the data within ±5% for the micro-pin-finned surfaces

Synthesis, Crystal Structure and Thermal Stability of Complex Na-3[Na-5(dhns)(2)]center dot(phen)(4)center dot 2H(2)O with Bihydroxynaphthalenedisulfonate

A new complex, Na-3[Na-5(dhns)(2)]center dot(phen)(4)center dot 2H(2)O, was obtained from the self-assembly of disodium 2,7-dihydroxy-naphthalene-3,6-disulfonate (Na(2)H(2)dhns) and 1,10-phenanthroline (Phen) in a water-ethanol solution. The compound was characterized by elemental analysis, IR, TGA, and X-ray diffraction single crystal structure analyses. The compound crystallizes in the orthorhombic system, space group Pna2(1), a=2.829 85(12) nm, b =1.038 99(14) nm, c=2.259 23(13) nm, V=6.642 6(10) nm(3), Z=4, D-c=1.573 g.cm(-3), R-1=0.050 6, wR(2)=0.124 0, S=1.05. CCDC: 881794