The crystal structure of Zr2NiD4.5 has been determined by a combination of synchrotron radiation powder X-ray diffraction, electron diffraction and powder neutron diffraction data. Deuterium ordering results in a triclinic supercell given by asuper=6.81560 (7), bsuper=8.85137 (9), csuper=8.88007 (10) A, alphasuper=79.8337 (8), betasuper=90.0987 (9), gammasuper=90.3634 (9) degrees, which relates...

The title compound was prepared via a cross-coupling reaction and its crystal structure has been determined. It crystallized in the triclinic space group P-1 with cell parameters: a = 8.552(2) Å, b = 11.310(2) Å, c = 16.150(3) Å, α = 109.55(3)°, β = 91.45(3)°, γ = 91.28(3)°, V = 1470.6(5) Å3, Z = 2 at 296 K. There is one molecule in the asymmetric unit. In the crystal structure, the neighboring...

Tm-1, an inhibitor protein of Tomato mosaic virus RNA replication, contains two conserved domains: an uncharacterized domain at its N-terminus and a TIM-barrel-like domain at its C-terminus. The N-terminal domain of Tm-1 has an inhibitory activity and its three-dimensional structure has not been determined. Here, the crystallization and preliminary X-ray diffraction of the N-terminal domain of ...

A reaction of YI3, dibenzo-24-crown-8 and iodine in ethanol yielded, as a by-product, red single crystals of (I2)@(db24c8). In the triclinic crystal, P-1, a = 485.0(1), b = 1203.7(3), c = 1280.4(2) pm, α = 64.56(2)°, β = 86.82(2)°, γ = 83.89(2)°, V = 671.1(2) × 10pm, Z = 1, R1= 0.0301 for 1965 reflections with I0 > 2σ(I0), iodine molecules with an I–I distance of 268.39(7) pm, slightly longer t...

Hexane-dioic acid (or adipic acid), C(6)H(10)O(4), crystallizes with two crystallographically independent half-mol-ecules in the asymmetric unit of the triclinic unit cell, space group P, as each mol-ecule lies across a crystallographic inversion centre. A monoclinic polymorph has been reported previously, most recently by Ranganathan, Kulkarni & Rao [J. Phys. Chem. A, (2003), 107, 6073-6081]. ...

Ethyl-Lophine, 1-ethyl-2,4,5-triphenyl-1H-imidazole, C23H20N2, was synthesized as a precursor for large organic cations in ionic liquids using an improved microwave-assisted method. The title compound and a precursor compound were characterized by NMR, IR, and DSC thermal measurements, as well as elemental analyses. The crystal structure of ethyl-lophine was determined by singlecrystal X-ray st...

C11H12O2Se is triclinic, P1. Unit-cell dimensions at 293 K are a = 5.8450(10), b = 8.1490(10), c = 11.4620(10)A, alpha = 97.050(10), beta = 90.140(10), gamma = 90.120(10) degrees, V = 541.81(12)A3, Dx = 1.564 g/cm3, and Z = 2. The R value is 0.047 for 1388 observed reflections. The dihedral angle between the phenyl ring and the isobutenyl group is 72.3(2) degrees. There is an intermolecular hyd...

The acid catalyzed esterification of 2,6-dimethoxybenzoic acid (1) in the presence of absolute ethanol afforded ethyl 2, 6-dimethoxybenzoate (2). The structure of the resulting compound was supported by spectroscopic data and unambiguously confirmed by single crystal X-ray diffraction studies. The title compound crystallized in the triclinic space group P ī with unit cell parameters a = 8.5518(...

The title compound, C(16)H(14)O(5), is a triclinic polymorph of a previously reported monoclinic structure [Hosseinzadeh et al. (2011 ▶). Acta Cryst. E67, o1544]. The mol-ecule is roughly planar, the r.m.s. deviation from the least-squares plane of all non-H atoms being 0.092 Å. In the crystal, adjacent mol-ecules are linked through C-H⋯O hydrogen bonds into an infinite two-dimensional network ...

The title compound, [Au(C(9)H(10)NOS)(C(18)H(33)P)], represents a monoclinic polymorph to complement a previously reported triclinic (P) polymorph [Hall et al. (1993 ▶). Aust. J. Chem.46, 561-570 (unit-cell data only)]. The Au(I) atom is coordinated within an S,P-donor set that defines a slightly distorted linear geometry [S-Au-P = = 175.43 (3)°], with the distortion due in part to a close intr...