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June 2016 issue
metal-organic compounds
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In the title complex, the metal zinc atom is tetra-coordinated by three bromide atoms and one nitrogen atom of the MetforminH+ ligand.
CCDC reference: 1482160
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In the title complex, the asymmetric dithiocine derivative adopts a boat conformation on coordinating to a PdCl2 fragment.
CCDC reference: 1481992
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In the title compound, [K(C12H24O6][Fe(C10H15)(CO)2], one carbonyl group of the [FeCp*(CO)2]− anion interacts with the potassium cation that is embedded in an 18-crown-6 molecule. Intra- and intermolecular C—H⋯O interactions are present in the crystal.
CCDC reference: 1482695
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The main structural feature of the title structure are molecular chains extending parallel to [101] with boric acid solvent molecules in between. The crystal structure is consolidated by O—H⋯O hydrogen bonds.
CCDC reference: 1484699
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The title compound features a dinuclear chloride-bridged palladium complex bearing two equivalents of the novel monoanionic mixed valent (λ3-P)—N—(λ5-P) ligand.
CCDC reference: 1486161
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The crystal structure of the title compound contains of polymeric sheets extending parallel to (010). In the centrosymmetric dinuclear bridged repeat unit, the Cs+ cation has an irregular O6 coordination set.
CCDC reference: 1486005
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One of the two unique CuI atoms in the title structure has a linear coordination whereas the other is tetrahedrally coordinated.
CCDC reference: 1471071
organic compounds
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The title acetamide crystallizes with two independent molecules in the asymmetric unit whose geometrical features are similar. In the crystal, molecules are linked via C—H⋯N hydrogen bonds which form C(10) chains along the [00] direction.
CCDC reference: 1482671
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The indole ring systems are oriented orthogonally while the fluorophenyl ring is nearly perpendicular to one of the indole ring systems and twisted by 63.6 (6)° from the other. In the crystal, N—H⋯π, C—H⋯π and C—H⋯F interactions occur, forming a three-dimensional network.
CCDC reference: 1481317
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The cyclohexane ring of the title compound has a chair conformation. The crystal structure is stabilized by intermolecular N—H⋯N and N—H⋯S hydrogen bonds, forming a three-dimensional network.
CCDC reference: 1482434
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The title compound lies on a mirror plane. In the crystal, molecules are linked by Br⋯N and Br⋯Br interactions, forming zigzag chains along [010].
CCDC reference: 1482349
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The title molecule, C9H6ClNO2, is almost planar, with an r.m.s. deviation of 0.0922 (19) Å. In the crystal, molecules are connected through methyl-C—H⋯O(carbonyl) interactions into supramolecular helical chains along the b axis.
CCDC reference: 1483751
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The title compound contains two independent molecules in the asymmetric unit which differ modestly in their conformations. The independent molecules each self-associate to form layers in the crystal structure through N—H⋯O and C—H⋯O hydrogen bonding.
CCDC reference: 1483676
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In the title compound, the piperdine ring adopts a chair conformation. The dihedral angles between its mean plane and the two benzene rings are 45.5 (3) and 28.0 (3)°, while the benzene rings are inclined to one another by 54.5 (3)°.
CCDC reference: 1484074
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This paper reports a 5/6 spiro-fused system with the five- and six-membered rings inclined to one another at 89.79 (5)°. The crystal structure is stabilized by intermolecular C—H ⋯ O hydrogen bonds.
CCDC reference: 1483988
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In the title acetamide, C11H8Cl2N2OS, the chlorophenyl ring is oriented at an angle of 7.1 (1)° with respect to the thiazole ring. In the crystal, molecules are linked via C—H⋯O intermolecular interactions, forming C(10) chains propagating in a zigzag manner along the b axis.
CCDC reference: 1483458
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Weak C—H⋯O hydrogen bonds form ribbons parallel to (010). Two such chains are associated via offset π-stacking interactions between a six-membered ring in one chain and a five-membered ring in the other with a 3.7361 (9) Å separation.
CCDC reference: 1484397
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In the the title compound, the planes of the two nitro groups make dihedral angles of 54.77 (8) and 55.60 (3)° with the anthraquinone ring system, which is essentially planar. In the crystal, molecules are linked by short intermolecular O⋯O contacts, leading to a three-dimensional network structure.
CCDC reference: 1483502
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The chain of the ester group adopts an extended conformation. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate (10) loops and further such bonds connect the dimers into `stair-step' chains propagating in [100].
CCDC reference: 1481951
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The title compound, C15H10ClNO2, crystallizes with two molecules in the asymmetric unit with almost identical conformations.
CCDC reference: 1482161
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In the title compound, the allyl group is almost perpendicular to the 5-chloroindoline-2,3-dione ring system, with a dihedral angle of 88.0 (3)°.
CCDC reference: 1482398
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The fused thiazine ring in the title compound has a screw-boat conformation.
CCDC reference: 1482425
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In the title compound, the two aromatic rings are inclined to one another by 68.19 (9)°. In the crystal, molecules are linked by C—H⋯π interactions, forming chains propagating along [010].
CCDC reference: 1482493
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In the crystal structure of the title molecule, C8H11N7O·H2O, a network of O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds links the components, forming layers which include the lattice water molecules. The layers are held together by π–π stacking interactions.
CCDC reference: 1482515
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In the title compound, C14H15Br2NO2, the dihedral angle between the mean plane passing through the bromohexyl chain and the and 5-bromoindoline ring system [r.m.s. deviation = 0.044 (4) Å] is 70.0 (3)°.
CCDC reference: 1482861
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The title compound forms centrosymmetric dimers that are linked by O—H⋯O hydrogen bonds into supramolecular chains. These chains are linked into sheets in the bc plane by C—H⋯O hydrogen bonds.
CCDC reference: 1484314
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The two independent carboxamide molecules in the asymmetric unit differ primarily in the orientations of the peripheral methyl and amino groups. Hydrogen bonding with the lattice water molecules plays a dominant role in forming the cross-linked layer structure in the crystal.
CCDC reference: 1484691
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The centrosymmetric title compound contains two benzoylthioureido groups linked by an ethylene group. Intermolecular N—H⋯S hydrogen bonds form one-dimensional chains along b.
CCDC reference: 1484012
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The title compound has crystallographically imposed centrosymmetry. The packing is assisted by N—H⋯O, C—H⋯O and N—H⋯S interactions with the lattice solvent molecules.
CCDC reference: 1484676
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In the cation, the pyridine ring is protonated at the N atom and the anion is deprotonated at the hydroxy O atom. The crystal structure is stabilized by N—H⋯O and O—H⋯O hydrogen bonds and further by weak C—H⋯O, C—H⋯π and π–π interactions.
CCDC reference: 1485920
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The title compound contains a terpyridine unit bearing a dimethoxyphenyl substituent at the 4-position of the central pyridine ring.
CCDC reference: 1484781
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In the structure of the title compound, the mean plane through the fused-ring system makes a dihedral angle of 61.00 (18)°, with the mean plane passing through the 1-dodecyl chain.
CCDC reference: 1485734
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A triclinic polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole is presented.
CCDC reference: 1485338
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The indazole ring system and the nitro groups are nearly coplanar. The crystal structure is stabilized by hydrogen bonds and π–π stacking interactions.
CCDC reference: 1485400
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The title compound displays zwitterionic properties and may serve as a ligand to construct extended complexes when coordinating to metal ions, including metal–organic frameworks.
CCDC reference: 1485598
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In the title compound, C10H7NO3·H2O, O—H⋯O hydrogen bonds form stepped sheets approximately parallel to {010} which are tied together by pairwise N—H⋯O interactions.
CCDC reference: 1486461
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In the crystal structure of bis(creatininium) 3-nitrophthalate monohydrate, the components are linked via intermolecular N—H⋯O, N—H⋯N and C—H⋯O interactions.
CCDC reference: 1486234
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Molecules of (5Z)-5-(4-chlorobenzylidene)-1,3-thiazolidine-2,4-dione form undulating ribbons running approximately parallel to (101) through N—H⋯O hydrogen bonds.
CCDC reference: 1486205
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In the crystal of the title molecular salt, the cations and anions are linked via N—H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with (8) and (8) loops.
CCDC reference: 1486919
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The molecules of 1,3-bis(1-methyl-5-sulfanylidene-1,2,4-triazolin-4-yl)urea form chains by N—H⋯O hydrogen bonds.
CCDC reference: 1486393
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The title compound is a dipyrromethane derivative with the three H atoms of the methane molecule substituted by two pyrrole rings and one 4-bromophenyl moiety.
CCDC reference: 1486804
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Apart from the methyl H atoms, all atoms of the structure are almost coplanar. The molecules are linked by π–π interactions, forming stacks parallel to the c axis..
CCDC reference: 1486941
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The phenyl and the 5-dihydroisoxazol-5-yl rings of the title molecule are almost coplanar. The thiazin-3-yl ring adopts a screw-boat conformation. In the crystal, the molecules are interconnected by C—H⋯O and C—H⋯N hydrogen bonds.
CCDC reference: 1486932
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The seven-membered diazepinone ring of this benzodiazepin-2-one derivative adopts a boat conformation. C—H⋯O hydrogen bonds link molecules into double chains.
CCDC reference: 1486935
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In the molecule, the pyrazole ring adopts a twisted conformation and is linked to three aromatic rings with different dihedral angles.
CCDC reference: 1487208
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In the sulfamethizole–2-amino-4,6-dimethoxypyrimidine (1/1) co-crystal, the components are linked into dimers by pairs of N—H⋯N hydrogen bonds.
CCDC reference: 1487652
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In the molecular salt 5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate), the centrosymmetric macrocyclic molecule has all four N atoms oriented towards the inside of the cavity, similar to its conformation in metal complexes.
CCDC reference: 1487686
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The conformation of the molecule of (4E)-1-phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione is partially determined by an intramolecular C—H⋯O hydrogen bond, while a combination of N—H⋯O and C—H⋯O hydrogen bonds organizes the molecules into chains parallel to the a axis.
CCDC reference: 1487642