ABSTRACT
The title compound, C(11)H(12)N(2)O(2)·3C(6)H(5)NO(3), comprises a zwitterionic amino acid formed by two nearly planar groups: (i) the indole ring and Cß, and (ii) the carboxyl group, Cα, as well as the amine N atom, with r.m.s. deviations of 0.0084 and 0.0038â Å, respectively. The angle between these idealized planes is 39.47â (9)°. The amine group of the amino acid is in a syn (-sc) arrangement relative to the ring system. The overall crystal structure results from the packing of sheets parallel to the (001) planes. These sheets are formed by a pair of screw axis related parallel networks bound by hydrogen-bond and π-π stacking interactions. The intermolecular cohesion of all organic residues in each of the latter two-dimensional networks is achieved via strong hydrogen bonding, nitro-π and π-π stacking interactions.
ABSTRACT
All the residues of the title compound, (C(5)H(6)N(3)O(2))[ReO(4)]·H(2)O, are located on general crystallographic positions. The 2-amino-5-nitro-pyridinium cation has a typical planar conformation with one of the nitro O atoms -0.058â (5)â Å out of plane; the amine H atoms are also a little out of the main ring plane towards the opposite side of the aforementioned O atom [by 0.02â (4) and 0.04â (4)â Å]. The perrhenate anion is nearly ideally tetra-hedral. Three distinct N-Hâ¯O hydrogen bonds give rise to C(8) zigzag chains running along [100]. R(4) (4)(12) rings involving the two hydrogen bonds in which the water mol-ecules inter-act with the perrhenate anions are also present.
ABSTRACT
All the residues of the title compound, (C(2)H(5.5)NO(2))(2)[ReO(4)], are located in general crystallographic positions. The glycine mol-ecules have usual conformations [Rodrigues Matos Beja et al. (2006 â¶). Acta Cryst. C62, o71-o72] with the H atom of the carboxylate group half-occupied, thus bearing a formal half-positive charge per molecule. The perrhenate anion has nearly ideal tetra-hedral geometry. A large number of strong hydrogen bonds give rise to the overall three-dimensional network. A two-dimensional network, parallel to (100), is made up of strong O-Hâ¯O hydrogen bonds with a donor acceptor distance of 2.445â (2)â Å. A large number of weaker O-Hâ¯O and N-Hâ¯O hydrogen bonds consolidates the structure into an overall three-dimensional network.
ABSTRACT
In the title compound, C(9)H(18)NO(+).NO(3)(-), the piperidinium ring adopts a slightly deformed chair conformation and the nitrate anion is disordered. The ions are arranged in hydrogen-bonded chains parallel to [001], in which the cations alternate with the anions. The intrachain hydrogen bonds are bifurcated and link the O atoms of the anions to the N atoms of the cations.
Subject(s)
Nitrates/chemistry , Piperidines/chemistry , Molecular ConformationABSTRACT
In the 1:1 adduct formed between L-phenylalanine and 4-nitrophenol [alternative IUPAC name: (2S)-2-ammonio-3-phenylpropanoate-4-nitrophenol (1/1)], C9H11NO2.C6H5NO3, the L-phenylalanine molecule is in the zwitterionic state. The overall structure is stabilized via strong hydrogen bonding between polar zones and van der Waals interactions between non-polar zones, which alternate with the polar zones.
ABSTRACT
The title compound, tetraaquabis(hydrogen L-malato)strontium(II) dihydrate, [Sr(C4H5O5)2(H2O)4].2H2O, is a new non-linear optical semi-organic material with a second harmonic generation efficiency approximately 3.5 times greater than that of potassium dihydrogen phosphate. The malate anions are interconnected through directional O-H...O hydrogen bonding, in a head-to-tail arrangement, creating extended anionic chains along [001]. Neighbouring parallel chains are crosslinked by water molecules, resulting in a three-dimensional architecture. The Sr2+ ion is coordinated by eight O atoms. This material is a new candidate for non-linear optical applications since the crystals are stable and easy to grow.
ABSTRACT
The title compound, C2H6NO2+.C2Cl3O2-, crystallizes in the P4(1) space group with two glycinium cations and two trichloroacetate anions in the asymmetric unit. The glycinium cations have nearly Cs point-group symmetry which is only broken by the H atoms of the amine group. The trichloroacetate anions show typical bond lengths and angles, one of the trichloromethyl groups being disordered. Chains of alternating anions and cations run along the c axis. Within these chains, consecutive anion-cation pairs are bound via strong hydrogen bonds involving the carboxylate anions and the carboxyl or amine groups of the cations. Weaker hydrogen bonds bind neighbouring chains together.
Subject(s)
Glycine/analogs & derivatives , Glycine/chemistry , Crystallography , Hydrogen Bonding , Models, Molecular , Molecular StructureABSTRACT
In the title compound, C(2)H(6)NO(2)(+).C(2)F(3)O(2)(-), the main N-C-COOH skeleton of the glycinium cation is almost perfectly planar. The trifluoroacetate anion has a staggered conformation with typical bond distances and angles. The CF(3) group is slightly disordered. The structure is stabilized by an extensive network of strong O-H.O hydrogen bonds and weaker N-H.O bonds.