The title centrosymmetric mononuclear complex, [Ni(C(4)H(6)NO(3))(2)(H(2)O)(2)], is a polymorph of the previously reported complex [Dudarenko et al. (2010 ▶). Acta Cryst. E66, m277-m278]. The Ni(II) atom, lying on an inversion center, is six-coordinated by two carboxyl-ate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxy-imino-butanoate ligands and two axial water mol-e...

The structure of the title compound, C(14)H(12)N(2)O(2) {systematic name: 2,2'-[hydrazinediylidenebis(methanylyl-idene)]diphen-ol}, has already been determined in the triclinic space group P[Formula: see text] with Z = 4 [El-Medani, Aboaly, Abdalla & Ramadan (2004 ▶). Spectrosc. Lett.37, 619-632]. However, the correct space group should be P2(1)/c with Z = 4. This structure is a new polymorph o...

A new polymorph of the title compound, C(36)H(30)OSi(2)·2C(7)H(8), is reported, which is triclinic (P-1) instead of possessing the previously reported rhombohedral symmetry [Hönle et al. (1990). Acta Cryst. C46, 1982-1984]. Each of the -SiPh(3) units are related by the inversion center. The Si-O-Si moiety is linear with the O atom sitting on an inversion center, and the O-Si-(toluene ring centr...

The title compound, C(6)H(5)NO(3), crystallizes in the triclinic system with six independent mol-ecules in the asymmetric unit. In a previous study, the structure of the title compound was determined in the monoclinic P2(1)/n space group at 100 K [Valerga et al. (2009 ▶). Acta Cryst. E65, o1979]. All six independent mol-ecules display an E configuration about the C=C double bond, with the dihed...

In the title compound, K(2)Co(H(2)P(2)O(7))(2)·2H(2)O, the octa-hedrally coordinated Co(2+) ion lies on an inversion centre. Two bidentate dihydrogendiphosphate anions form the equatorial plane of the [CoO(6)] octa-hedron which is completed by two water mol-ecules in axial positions. This results in isolated {Co(H(2)O)(2)[H(2)P(2)O(7)](2)}(4-) entities linked into a three-dimensional network th...

The crystal structure of triclinic lysozyme, comprised of 1,001 non-H protein atoms and approximately 200 bound water molecules, has been determined ab initio (using native data alone) by the "Shake-and-Bake" method by using the computer program SnB. This is the largest structure determined so far by the SnB program. Initial experiments, using default SnB parameters derived from studies of smal...

the reaction of [pphj, nos,] with cucl and kscn (1 :3:3) in acetone produces the yell-ow crystals of [pph,], [wos,(cuncs),]. the crystals are triclinic, space group p1(2), z=2, a=12.4823(7), b=12.9224(7), c=18.6395(10)?, ?=83.907(5), ?= 73.152(4), y= 65.194(4)'. the crystal structure was determined by single crystal xray diffraction methods (mo-k ?) and refined by least-squares calculation...

The title compound, C(12)H(13)N(5)O(2)S {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-yl)carbamothio-yl]carbamate}, is a monoclinic polymorph (space group P2(1)/c) which crystallizes with three similar independent mol-ecules in the asymmetric unit. The triazole ring makes dihedral angles of 6.6 (2), 8.4 (2) and 10.6 (2)° with the phenyl ring in the three independent molecules. The s...

This paper reports an experimental and a theoretical study of the structures and standard (p(o) = 0.1 MPa) molar enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione [CAS 96-53-7] and 1,3-oxazolidine-2-thione [CAS 5840-81-3]. The enthalpies of combustion and sublimation were measured by rotary bomb combustion calorimetry, and the Knudsen effusion technique and gas-phase e...

The title compound, [SnCl₂(C₅H₄NS)₂], is the product of reaction of 2,2'-dipyridyl disulfide with tin tetra-chloride. The Sn(IV) atom adopts a distorted octa-hedral geometry, with the two bidentate pyridine-2-thiol-ate ligands forming two planar four-membered chelate rings. The two Sn-Cl, two Sn-N and two Sn-S bonds are in cis, cis and trans configurations, respectively. The crystal grown from ...