issue contents
March 2017 issue
metal-organic compounds
Download citation
Download citation
Open access
A redetermination of the crystal structure of potassium tetracyanidoaurate(III) monohydrate has been performed with single-crystal X-ray diffraction data at 173 K to improve the previous model obtained from neutron diffraction data.
CCDC reference: 1536909
Download citation
Download citation
Open access
In the crystal, molecules are connected by N—H⋯Cl hydrogen bond, forming ribbons along [110].
CCDC reference: 1536806
Download citation
Download citation
Open access
In the solid state, sodium 2,3-dioxoindole-5-sulfonate dihydrate forms a one-dimensional coordination polymer, further linked into a three-dimensional network through N—H⋯O, C—H⋯O, O—H⋯O and π–π interactions.
CCDC reference: 1539037
Download citation
Download citation
Open access
In trans-(S,S)-[FeBr(CO)(PPh2CH2CH2NHCHPhCHPhNCHCH2PCy2)]BPh4, the FeII ion is in a distorted octahedral complex geometry with a cis-β ligand geometry in which two diastereomers co-crystallized in the asymmetric unit. These diastereomers differ by the orientation of the N—H moieties on the ligand; one is in the S conformation, and the other R.
CCDC reference: 1476726
organic compounds
Download citation
Download citation
Open access
In the title cyano derivative, molecules are linked via weak C—H⋯N hydrogen bonds, forming C(5) chains along [010].
CCDC reference: 1504588
Download citation
Download citation
Open access
In the crystal of the title compound, molecules are linked by N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds and Br⋯O interactions, forming sheets parallel to the (13) plane.
CCDC reference: 1536015
Download citation
Download citation
Open access
The molecule of the title sulfonamide compound is U-shaped, with the dihedral angle between the benzene rings being 57.0 (2)°. In the crystal, molecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along [100].
CCDC reference: 1536990
Download citation
Download citation
Open access
The molecular and crystal structure of the title sulfonamide derivative is reported. Crystal packing is stabilized by classical and non-classical hydrogen bonds, a halogen bond and π–π contacts.
CCDC reference: 1536597
Download citation
Download citation
Open access
The whole molecule of the title compound, a radical initiator known as VAZO-88, is generated by inversion symmetry. The mid-point of the N=N bond is situated on the inversion centre.
CCDC reference: 1536557
Download citation
Download citation
Open access
In the crystal, inversion dimers linked by pairs of double-acceptor (C—H)2⋯O hydrogen bonds are seen. Further C—H⋯O interactions link the dimers into (010) sheets.
CCDC reference: 739323
Download citation
Download citation
Open access
The title naphthalene derivative was synthesized in three steps from a mixture of α-, β- and γ-himachalene, which was isolated from an essential oil of the Atlas cedar (Cedrus atlantica).
CCDC reference: 1536512
Download citation
Download citation
Open access
The molecular and crystal structure of the title cyclobutane derivative is reported. The crystal structure features C—H⋯O and C—H⋯Cl hydrogen bonds.
CCDC reference: 1534887
Download citation
Download citation
Open access
The molecule of the title pyridazin-3-one derivative of 1,3,4-oxadiazole is considerably twisted. While the phenyl and the oxadiazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°, they lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively.
CCDC reference: 1536569
Download citation
Download citation
Open access
In the title compound, the dihedral angle between the coumarin ring system and the phenyl ring is 55.96 (8)°. In the crystal, weak C—H⋯O interactions connect the molecules into a three-dimensional network and aromatic π–π stacking interactions are also observed.
CCDC reference: 1521448
Download citation
Download citation
Open access
The molecular and crystal structure of the title chalcone derivative is reported. The olefinic double bond adopts an E configuration.
CCDC reference: 1536989
Download citation
Download citation
Open access
Molecules of 7-methylisatin dimerize in the solid state through N—H⋯O hydrogen bonds. π–π interactions further link these molecules along the b axis.
CCDC reference: 1536802
Download citation
Download citation
Open access
Stacking and weak intermolecular interactions generate a supramolecular sheet.
CCDC reference: 1536778
Download citation
Download citation
Open access
The molecular structure of the title compound is stabilized by a weak intramolecular O—H⋯N hydrogen bond.
CCDC reference: 1507854
Download citation
Download citation
Open access
The title compound as structural similarities to the alkaloid galanthamine, used in the treatment of Alzheimer's disease. The structure consists of a fused three-ring system comprising benzene and cyclohexenone fused to a central furan ring. The crystal structure features weak intermolecular C—H⋯O interactions.
CCDC reference: 1524459
Download citation
Download citation
Open access
The title compound lies about an inversion center. The four-membered Si2N2 core is planar, with the two pyridyl rings placed centrosymetrically on either side of the Si2N2 plane. The pyridyl and Si2N2 rings are almost coplanar.
CCDC reference: 1537515
Download citation
Download citation
Open access
In the title compound, the indoline and thiophene moieties are only 2.01 (2)° from coplanarity. The isoxazole ring adopts an envelope conformation, with the methine C atom as the flap, and its mean plane is inclined to the thiophene and indoline ring mean planes by 19.78 (14) and 20.83 (12)°, respectively.
CCDC reference: 1534733
Download citation
Download citation
Open access
The cation is protonated at the pyridine N atom and the anion is deprotonated at one of the hydroxy O atoms. The crystal structure is stabilized by inter-ionic N—H⋯O hydrogen bonds and π–π interactions between the anions.
CCDC reference: 1538296
Download citation
Download citation
Open access
The molecular and crystal structure of the title isoquinoline derivative is reported. A combination of O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds form zigzag chains along the c-axis direction.
CCDC reference: 1537099
Download citation
Download citation
Open access
In the title compound, the molecule is built from fused six- and seven-membered rings and an additional three-membered ring
CCDC reference: 1538178
Download citation
Download citation
Open access
In the title compound, the pendant ethyl chain has an extended conformation and the methoxyphenyl ring is twisted by 28.81 (5)° with respect to the benzimidazole ring system at a dihedral angle of 28.81 (5)°. In the crystal, molecules are linked by weak C—H⋯π and π–π stacking interactions.
CCDC reference: 1538919
Download citation
Download citation
Open access
The title compound is an important pharmacophore molecule exhibiting a number of biological activities. The fused three-ring system is planar apart from the hydroxy-substituted C atom that deviates from the mean plane through the other 12 atoms by 0.737 (1) Å.
CCDC reference: 1538649
Download citation
Download citation
Open access
In the title compound, the seven-membered ring adopts a boat conformation with the Br substituent in an axial position. In the crystal, the molecules form centrosymmetric dimers via pairs of N—H⋯O hydrogen bonds.
CCDC reference: 1537047
Download citation
Download citation
Open access
In the crystal, molecules are linked by N—H⋯O hydrogen bonds into supramolecular chains propagating along the a-axis direction.
CCDC reference: 1537818
Download citation
Download citation
Open access
The synthesis and crystal structure of cis-[3-(2-chloro-6-methylquinolin-3-yl)oxiran-2-yl](p-tolyl)methanone are reported. The molecule crystallizes with Z = 2 in space group P. In the crystal, weak C—H⋯O and C—H⋯Cl interactions link the molecules into [100] chains.
CCDC reference: 1477410
Download citation
Download citation
Open access
The asymmetric unit of the title compound comprises two independent molecules. The packing features N—O⋯π interactions.
CCDC reference: 1538788
Download citation
Download citation
Open access
The asymmetric unit of the title cystosinium salt derivative contains two cytosinium cations, one tartaric acid anion and a water molecule. The crystal structure features C—H⋯O, N—H⋯O and O—H⋯O interactions. Further C—H⋯π and π–π interactions are observed along the ab plane, contributing to the crystal stability.
CCDC reference: 1539281
Download citation
Download citation
Open access
The title compound, 2C36H39N3O4·H2O, is a linear π-conjugated ladder oligomer with an alkyl chain on the central nitrogen atom. This diindolocarbazole, prepared via twofold Cadogan reaction, adopts a sligthly convex shape, anti to the disordered octyl group. The unit cell contains nine molecules of the title compound and half a water molecule per main molecule. The water molecule forms hydrogen bridges, connecting the carbazole-NH and methoxy groups of different molecules.
CCDC reference: 1539831
Download citation
Download citation
Open access
In the title a 2-heteroaryl benzimidazole derivative, the benzimidazole and julolidine moieties form a dihedral angle of 40.9 (1)°. Intermolecular N—H⋯N hydrogen bonds link the imidazole rings in the crystal, forming chains along the c-axis direction.
CCDC reference: 1539272
Download citation
Download citation
Open access
5,7-Dimethylisatin crystallizes with four molecules in the asymmetric unit: these molecules dimerize through pairs of N—H⋯O hydrogen bonds.
CCDC reference: 1539183
Download citation
Download citation
Open access
The cation of the title molecular salt is almost planar, with the pyridine and pyridinium rings being inclined to the central thiadiazole ring by 6.51 (9) and 9.13 (9)°, respectively.
CCDC reference: 1539885
Download citation
Download citation
Open access
In the title compound, all the acetyl residues are twisted with respect to the rings (A, B and C) to which they are attached. The dihedral angle between the mean planes of rings C and D is 4.70 (11)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional structure.
CCDC reference: 1538917