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C6H12O6, monoclinic, P121/n1 (no. 14), a = 5.0641(3) Å, b = 6.6605(4) Å, c = 10.6114(6) Å, 0 = 91.751(3)°, V = 357.7 Å, Z = 2, Rgt(F) = 0.039, wRref(F) = 0.112, T = 200 K. Source of material The title compound was obtained as a side product in the synthesis of cis-inositol [1]. Single crystals suitable for X-ray diffraction were obtained from an aqueous solution by slow evaporation. Elemental analysis confirmed the composition C6H12O6 as established by crystal structure analysis. Experimental details All hydrogen atomic positions were taken from a difference Fourier map. They were refined with variable isotropic displacement parameters. Discussion Inositol (cyclohexanehexol) exists in the form of eight diastereomers; all of them have been characterized by crystal structure analysis [2-9]. For the scyllo-(1,3,5/2,4,6)-isomer, a triclinic and a monoclinic polymorph have been observed, however, single crystals could only be obtained for the triclinic form [9]. Although being of lowest energy, the monoclinic polymorph has always been obtained as a mixture together with additional components. The authors mentioned several attempts to grow single crystals of this second polymorph, however without success [9]; its crystal structure finally followed from a combination of powder X-ray diffraction data and additional computational methods. Crystal growth in our laboratory was more successful, and we can now provide a complete single crystal X-ray diffraction structure analysis of this monoclinic polymorph. The crystal structure can be discussed in terms of a threedimensional hydrogen bonding network, where every inositol molecule, lying on a center of inversion, is connected to eight neighbors via hydrogen bonding. Each of the six equatorial hydroxy groups acts as a hydrogen donor: O1−H4···O3, O2− H5···O3, and O3−H6···O2 (symmetry code i: 0.5+x,1.5−y,−0.5 +z; ii: 0.5−x,−0.5+y,1.5−z; iii:−0.5−x,0.5+y,1.5−z). Consequently, O3 accepts two and O2 one hydrogen atom, whereas O1 does not act as a hydrogen acceptor. The six membered cyclohexane ring adopts a chair conformation with puckering parameters Q = 0.581 Å, # = 180.0°, + = 0.00°. Z. Kristallogr. NCS 223 (2008) 357-358 / DOI 10.1524/ncrs.2008.0155 357 © by Oldenbourg Wissenschaftsverlag, München Crystal: colorless prism, size 0.15 × 0.2 × 0.25 mm Wavelength: Mo K2 radiation (0.71073 Å) ': 1.52 cm−1 Diffractometer, scan mode: STOE IPDS, + 2#max: 52° N(hkl)measured, N(hkl)unique: 5570, 705 Criterion for Iobs, N(hkl)gt: Iobs > 2 "(Iobs), 670 N(param)refined: 79 Programs: SHELXS-97 [10], SHELXL-97 [11] Table 1. Data collection and handling. H(1) 4e −0.018(3) 0.711(3) 0.437(2) 0.003(4) H(2) 4e 0.270(4) 0.965(3) 0.627(2) 0.010(4) H(3) 4e −0.276(4) 0.908(3) 0.600(2) 0.011(4) H(4) 4e 0.399(5) 0.645(5) 0.392(3) 0.040(7) H(5) 4e 0.267(6) 0.666(4) 0.693(2) 0.028(6) H(6) 4e −0.286(6) 1.099(4) 0.759(2) 0.035(7) Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso

Crystal structure of 1,3,5/2,4,6-hexahydroxycyclohexane, C 6 H 12 O 6 , scyllo-inositol