48 research outputs found
(R)-N-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (E)-but-2-enoate
The crystal structure of the title salt, [Fe(C5H5)(C15H19NO)](C4H5O2), consists of discrete ammonium and carboxylate ions, which associate into infinite chains parallel to [100] by means of N—H⋯O and O—H⋯O interactions. These chains are further cross-linked into a three-dimensional network by additional C—H⋯O contacts and by offset π–π stacking interactions of inversion-related aromatic rings [centroid–centroid distance = 3.7040 (14) Å]. The molecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl β-aminoalcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxylate unit and the butenyl group (the latter being planar within ca. 0.002 Å), which are mutually rotated by 30.3 (4)°
N-(4-Bromophenyl)urea
In the title compound, C7H7BrN2O, both the urea moiety [maximum deviation 0.003 (2) Å] and the benzene ring are essentially planar [maximum deviation 0.003 (2) Å] but are rotated with respect to each other by a dihedral angle of 47.8 (1)°. The crystal assembly is stabilized by N—H⋯O hydrogen bonds between all NH protons as conventional hydrogen bond donors and the C=O oxygen as a trifurcated hydrogen-bond acceptor. Both the overall molecular geometry and the crystal packing of the title compound are very similar to those of N-phenylurea, which is underscored by a practically isostructural relationship between these two urea derivatives
Methyl (S p)-2-(diphenylphosphino)ferrocene-1-carboxylate
The title compound, [Fe(C5H5)(C19H16O2P)], obtained serendipitously during recrystallization of 1-hydroxybenzotriazolyl (S
p)-2-(diphenylphosphino)ferrocene-1-carboxylate from methanol, crystallizes in the chiral space group P212121. Its crystal structure not only confirms the anticipated absolute configuration but also establishes a rather regular geometry for the ferrocene unit, devoid of any significant deformation due to the attached substituents. In the crystal, symmetry-related molecules are linked via weak C—H⋯O interactions
1-Bromo-1′-(diphenylthiophosphoryl)ferrocene
The title compound, [Fe(C5H4Br)(C17H14PS)], crystallizes with two practically undistiguishable molecules in the asymmetric unit, which are related by a non-space-group inversion. The ferrocene-1,1′-diyl units exhibit a regular geometry with negligible tilting and balanced Fe–ring centroid distances, and with the attached substituents assuming conformations close to ideal synclinal eclipsed
1-Methanesulfonyl-1H-1,2,3-benzotriazole
The molecular geometry of the title compound, C7H7N3O2S, does not differ much from that of the previously reported 4-toluenesulfonyl analogue. Unlike the latter compound, however, molecules of the title compound associate primarily via π–π stacking interactions of their benzene rings [centroid–centroid distance = 3.5865 (8) Å], forming columnar stacks along the crystallographic 21 axes. These stacks are interconnected via weak C—H⋯O and C—H⋯N hydrogen bonds
1,2:5,6-Di-O-isopropylidene-α-d-3-glucofuranosyl (R p)-2-(diphenylphosphino)ferrocene-1-carboxylate
The title compound, [Fe(C5H5)(C30H32O7P)], which is an intermediate in the synthesis of (R
p)-2-(diphenylphosphino)ferrocene-1-carboxylic acid, crystallizes in the common chiral space group P212121. In general, the molecular geometry is very similar to that of the corresponding 2,1′-bis(diphenylphosphino) congener. The ferrocene unit assumes a regular geometry with the proximal bulky substituents efficiently avoiding mutual spatial contacts. In the crystal, the molecules participate in weak intra- and intermolecular C—H⋯O interactions
[3]Ferrocenophan-1-one
The crystal structure of [3]ferrocenophan-1-one, [Fe(C13H12O)], has been redetermined at 150 K. The tethered cyclopentadienyl (Cp) rings are tilted by 9.39 (18)° and assume an eclipsed conformation. The 1-oxopropane-1,3-diyl bridge has a pseudo-envelope conformation with the C=O group deviating by as much as 22.5 (2)° from coplanarity with its attached Cp ring
Piperidinium N-(ferrocenylcarbonyl)glycinate
The title compound, (C5H12N)[Fe(C5H5)(C8H7NO3)], resulting from neutralization of N-(ferrocenylcarbonyl)glycine with piperidine, is built up from discrete ions that assemble into sheets via the combination of conventional and weak hydrogen bonds. The key repeating unit is constituted by two piperidium cations and two carboxylate anions that assemble into a centrosymmetric array via conventional and bifurcated N—H⋯O hydrogen bonds. The aggregates thus formed are further interlinked by N—H⋯O interactions and supportive C—H⋯O contacts into layers oriented parallel to the bc plane