Acta Crystallographica Section E Structure Reports Online

Journal Information
ISSN / EISSN : 1600-5368 / 1600-5368
Total articles ≅ 40,534
Current Coverage
INSPEC
LOCKSS
PUBMED
PMC
DOAJ
Archived in
EBSCO
SHERPA/ROMEO
Filter:

Latest articles in this journal

Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 599-602; https://doi.org/10.1107/S1600536814025197

Abstract:
In the title compound, the dehydrodipeptide (Boc–Phe–ΔAla–OiPr, C20H28N2O5), the molecule has atransconformation of theN-methylamide group. The geometry of the dehydroalanine moiety is to some extent different from those usually found in simple peptides, indicating conjugation between the H2C=C group and the peptide bond. The bond angles around dehydroalanine have unusually high values due to the steric hindrance, the same interaction influencing the slight distortion from planarity of the dehydroalanine. The molecule is stabilized by intramolecular interactions between the isopropyl group and the N atoms of the peptide main chain. In the crystal, an N—H...O hydrogen bond links the molecules into ribbons, giving a herringbone head-to-head packing arrangement extending along the [100] direction. In the stacks, the molecules are linked by weak C—H...O hydrogen-bonding associations.
Xin-Hua Lu, , Jin Hu
Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 593-595; https://doi.org/10.1107/s1600536814025756

Abstract:
In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendicular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into the inversion dimers, which are further linked by N—H...O hydrogen bonds into supramolecular chains propagating along theb-axis direction. Weak C—H...π interactions are observed between neighbouring chains.
Eswar Kumar Nadendla, G. Jagadeesan, D. Kannan, Mannickam Bakthadoss, K. Gunasekaran
Acta Crystallographica Section E Structure Reports Online, Volume 70; https://doi.org/10.1107/S160053681402515X

Abstract:
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intramolecular C—H...π interaction involving the tosylate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, molecules are linked by C—H...π interactions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π–π interactions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadosset al.(2014).Eur. J. Org. Chem.pp. 1505–1513].
Kseniia Piletska, Konstantin V. Domasevitch,
Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 587-9; https://doi.org/10.1107/S1600536814025604

Abstract:
In the title compound, [ReBr(C13H10N4)(CO)3], the ReIatom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in afacconfiguration around the ReIatom. Mutual N—H...Br hydrogen bonds arrange molecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H...O and C—H...Br hydrogen bonds, as well as by slipped π–π stacking interactions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.
, , Matti Haukka, Ebbe Nordlander
Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 584-6; https://doi.org/10.1107/S1600536814025793

Abstract:
The molecule of the title compound, C14H13N5O2, is approximately planar (r.m.s deviation for all non-H atoms = 0.093 Å), with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. The oxime group issynto the amide group, probably due to the formation of an intramolecular N—H...N hydrogen bond that forms anS(6) ring motif. In the crystal, molecules are linked by pairs of bifurcated O—H...(O,N) hydrogen bonds, forming inversion dimers. The latter are linkedviaC—H...O and C—H...N hydrogen bonds, forming sheets lying parallel to (502). The sheets are linkedviaπ–π stacking interactions [inter-centroid distance = 3.7588 (9) Å], involving the pyridine rings of inversion-related molecules, forming a three-dimensional structure.
, , S. Thamotharan
Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 580-583; https://doi.org/10.1107/s1600536814025665

Abstract:
The title molecular salt, C8H13N2+·Br, crystallizes with two independent 3-aminopyridinium cations and two bromide anions in the asymmetric unit (Z′ = 2). In the pyridine ring, the N atom is alkylated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cationA, whereas the corresponding angle is 89.23 (2)° in cationB. In the crystal, the anions and cations are linkedviaN—H...Br and C—H...Br hydrogen bonds, forming chains propagating along [100].
Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 596-8; https://doi.org/10.1107/S1600536814025677

Abstract:
The title compound, C11H17BrN2O5, is a dehydroamino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linkedtransto each other and there are no strong intramolecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the molecule. The dipeptide folding is influenced by an intermolecular N—H...O hydrogen bond and also minimizes steric repulsion. In the crystal, molecules are linked by strong N—H...O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C—H...O and C—H...Br bonds and short Br...Br [3.4149 (3) Å] interactions.
Markus Schwierz, Helmar Görls,
Acta Crystallographica Section E Structure Reports Online, Volume 70; https://doi.org/10.1107/S1600536814025768

Abstract:
In the title compound, C9H15NO2, the piperidine ring exhibits a chair conformation. The butanedione subunit exhibits a conformation with the ketone C atom in an eclipsed position with respect to the amide carbonyl group. In the crystal, a two-dimensional layered arrangement is formed by hydrogen bonds of the C—H...O type between the methyl group and the exocyclic methylene unit as donor sites and the amide carbonyl O atom as the acceptor of a bifurcated hydrogen bond. These layers are oriented parallel to theabplane.
, Jürgen Köhler
Acta Crystallographica Section E Structure Reports Online, Volume 70, pp 590-592; https://doi.org/10.1107/s1600536814025823

Abstract:
The crystal structure of the title compound, strontium cadmium platinum, adopts the TiNiSi structure type with the Sr atoms on the Ti, the Cd atoms on the Ni and the Pt atoms on the Si positions, respectively. The Pt atoms form cadmium-centred tetrahedra that are condensed into a three-dimensional network with channels parallel to theb-axis direction in which the Sr atoms are located. The latter are bonded to each other in the form of six-membered rings with chair conformations. All atoms in the SrCdPt structure are situated on a mirror plane.
Nadir Ghichi, Ali Benboudiaf, Hocine Merazig
Acta Crystallographica Section E Structure Reports Online, Volume 70; https://doi.org/10.1107/s1600536814024568

Abstract:
In the title compound, C20H17NO3, the methylidenecyclohexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hydroxybenzene rings, respectively. The amino group links with the carbonyl O atomviaan intramolecular N—H...O hydrogen bond, forming anS(6) ring motif. In the crystal, the molecules are linked by O—H...O hydrogen bonds and weak C—H...O and C—H...π interactions, forming a three-dimensional supramolecular architecture.
Back to Top Top