The structure of triphenylgermanium hydroxide

C18H~6GeO, Mr = 320.9, triclinic, Pi, a = 15.408 (6), b = 19.974 (7), c = 23.264 (11) A, a = 107.78 (4), 13 = 1.03.54 (4), y= 101.51 (3) °, V = 6338 (5)/~3, Z = 16, Dx = 1.34 g cm -3, a(Mo Ka) = 0.71073A, /z = 19.1cm-1, F(000)=2624, T= 293 K, R = 0.055 for 6846 observed reflections. The eight independent molecules in the asymmetric unit form two independent O--H...O hydrogen-bonded tetramers with the O atoms in a flattened tetrahedral arrangement [hydrogen-bond distances in the range 2.609 (11) to 2.657 (11)A]. The Ge atoms are tetrahedrally coordinated with mean Gc O 1.791 (7) and Gc C 1.931 (8) A

O-H...π(arene) intermolecular hydrogen bonding in the structure of 1,1,2-triphenylethanol

The 1,1,2-triphenylethanol molecule, Ph2(PhCH2)COH (I), forms centrosymmetric dimers in the solid state. The shortest O-..O separation, 5.837 (3)A,, is too long for any O--H..-O hydrogen-bond formation. Instead, there are O--H~..π(arene) interactions between the hydroxyl group of one molecule and a phenyl group of a centrosymmetrically related molecule. The O...C and H-..C distances between the hydroxyl group and the closest phenyl-ring C atom are 3.525 (4) and 2.73 (4)~,, respectively. These intermolecular contacts are the only driving force towards dimer formation in the solid state

(1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric R⁴₄(16) Dimer Generated by C-H...O Hydrogen Bonding

In (1'-benzoylferrocenyl)diphenylmethanol, [(PhCOC₅H₄)Fe(C₅H₄)]CPh₂OH, (C₃₀H₂₄FeO₂), there is an intramolecular O-H...O hydrogen bond with O...O 2.891 (2) Å: the ferrocenyl unit adopts an eclipsed conformation and the molecules are linked into centrosymmetric dimers by C-H...O hydrogen bonds with C...O 3.357 (3) Å, to generate a cyclic R⁴₄(16) motif

Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)

Racemic 1-ferrocenyl- 1-phenylethanol, [(CsHs)Fe- (CsHa)]CPhMeOH (I), crystallizes as discrete molecules which are not involved in hydrogen bondinog; the shortest intermolecular O-..O contact is 3.768(3) A and the hydroxyl H atom is orientated towards the unsubstituted cyclopentadienyl ring. Ferrocenyl(diphenyl)methanol, [(CsHs)Fe(CsHa)]CPh2OH (II) is hydrogen bonded to form centrosynunetric dimers with O...O 2.816(1) and H...O 2.52 ]k. Ferrocene-l,l~-diylbis(diphenylmeth - anol), Fe[(CsHa)C(Ph)2COH]2 (III) crystallizes as a dimeric aggregate with the Fe atoms on twofold crystallographic symmetry axes and the four O atoms defining a folded trapezium with O...O 2.762(2), 2.714(2) and 2.865(2) A,. The four hydroxyl groups are disordered equally over two orientations such that there are two halfoccupancy H-atom sites between each hydrogen-bonded oxygen pair

The structure of triphenylmethanol, Ph₃COH

C19H160 , Mr = 260.3, trigonal, R3, a = 19.307 (3), c = 26.735 (4) A, V= 8631 (2) A 3, Z= 24, Dx = 1.20 g cm -3, a(Mo Ka) = 0.71073/~, /.~ = 0.7 cm -1, F(000) = 3312, T = 294 K, R = 0.083, wR = 0.068 for 1022 observed reflections. The structure contains hydrogen-bonded pyramidal tetramers (which have approximate 32 symmetry) with one molecule lying on a crystallographic threefold axis and another in a general position. The analysis was complicated by disorder in the crystal lattice where 71% of the tetramers occupy one orientation and 29% another; these moieties have their phenyl rings in the same volume elements in the lattice. The O...O separations in the hydrogen-bond systems are 2.884 (10) and 2.896 (11)/~ in the major tetramer and 2.80 (3) and 2.90 (3) A in the minor tetramer

Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol

Racemic 1, l'-diphenyl- 1,1'-( 1, l'-ferrocenediyl)diethanol, [Fe{(CsH4)C(Ph)MeOH}2] (I), crystallizes as hydrogen- bonded dimeric aggregates with the Fe atoms on twofold crystallographic axes and the four O atoms defining a folded trapezium with O...O distances of 2.784 (2) (x2), 2.877(3) and 2.795 (4)A. The four hydroxyl H atoms are disordered equally over two orientations such that there are two half-occupancy H-atom sites between each hydrogen-bonded O-atom pair. Racemic 1,1'-(1, l'- ferrocenediyl)diethanol, [Fe{(CsH4)C(H)MeOH}2] (II),crystallizes as hydrogen-bonded centrosymmetric dimers, with O...O distances of 2.778 (2) and 2.764 (2) A and ordered hydroxyl H atoms. In (I), the dimers are formed from either two RR or two SS molecules, while in (II) the dimers each contain one RR and one SS molecule

C–H.I− interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)

The cations in (ferrocenylmethyl)triphenylphosphonium iodide, [{(C5H5)Fe(C5Ha)}CH2P(C6Hs)3]+.I -, (1), and in 1, l'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate, [Fe{(C5H4)CH2- P(C6H5)3}212+.2I-.CH2C12, (2), are involved in three dimensional networks of C--H. • .I- interactions between phenyl C--H groups and I- anions. In (1), the cation resides in a general position while one I- anion is on a twofold axis and a second I- anion is at an inversion centre. The shortest C...I- distances are 3.886 (2) and 3.989 (2)A to the I- ion which resides on an inversion centre. The cation in (2) has approximate mirror symmetry and lies in a general position in the unit cell along with its two I- anions. The shortest C--.I- interactions are 3.810 (4) and 3.886 (5) A,

Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene

In the solid state, molecules of 1,1'-dibenzoylferrocene, [Fe(C₁₂H₉O)₂], (I), are linked to form infinite chains in the [100] direction via (cyclopentadienyl)C-H...O hydrogen bonds [C...O 3.354 (4) Å]. In the structure of (4-nitrophenyl)ferrocene, [Fe(C₅H₅)(C₁₁H₈NO₂)], (II), there are no C-H...O hydrogen bonds and molecules are separated by normal van der Waals distances. For earlier determinations see Struchkov [Dokl. Akad. Nauk SSSR (1956), 110, 67-70] for (I) and Roberts et al. [J. Chem. Soc. Dalton Trans. (1988), pp. 1549-1556] for (II)

Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol

The tribenzylmethanol molecule, (PhCH2)3COH, has approximate threefold symmetry in the solid state. The hydroxyl H atom is disordered unequally over three orientations and is not involved in hydrogen bonding. The 1,2,3-triphenyl-2-propanol molecule, Ph(PhCH2)2COH, crystallizes with two molecules per asymmetric unit which differ slightly in conformation. In one of the molecules the hydroxyl H atom is disordered equally over two sites, whereas in the other molecule there is no disorder. As in the tribenzylmethanol molecule, there is no intermolecular O--H...O hydrogen bonding, presumably because of the steric bulk of the molecules and their packing which prevents the close approach of the O atoms of adjacent molecules