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September 2016 issue
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Cover illustration: In (5-2,4- dimethylcyclopenta[b]indolyl)(
5-pentamethylcyclopentadienyl)zirconium(IV) dichloride, the dihedral angle between the planes of rings coordinated to Zr is 51.6 (2)°. The crystal structure features H
Cl and C-H
interactions. See: Medvedev, Ryabov, Uborsky, Kononovich, Izmer & Voskoboynikov [IUCrData (2016). 1, x161408].
metal-organic compounds
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In the structure of (η5-2,4- dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride, the dihedral angle between the planes of rings coordinated to Zr is 51.6 (2)°.
CCDC reference: 1502439
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The coordination polymer [Ba(tfBDC)(DMF)(EtOH)] has been synthesized by a diffusion controlled synthesis from EtOH/DMF solution (tfBDC2− = tetrafluoroterephthalate). BaO8 polyhedra are connected by bridging tfBDC2− ligands to form a three-dimensional network structure.
CCDC reference: 1502501
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In the title complex, the vanadium(IV) cations are coordinated by two monoanionic bidentate Schiff base ligands and two N atoms of two dimethylamide anions, forming distorted octahedral complexes.
CCDC reference: 1502927
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In the crystal structure of the title compound, the TiIV atoms are coordinated by a dianionic tetradentate Schiff base ligand and two O atoms of two isopropoxide anions, forming a distorted octahedral coordination sphere.
CCDC reference: 922375
organic compounds
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1,4-[4-(9,17-Dithia[3.3]metacyclophane)]-1,3-butadiyne is generated by a crystallographic inversion centre at the mid-point of the central C—C bond. Both cyclophane units exist in cisoid pseudo-boat–chair chair–boat conformations. In the crystal, the molecular packing is controlled by van der Waals interactions.
CCDC reference: 812220
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The title compound, crystallized with two independent molecules (A and B) in the asymmetric unit. Both molecules have an E conformation about the C=C bond of the prop-2-en-1-one unit. In the crystal, the two molecules are linked by an N—H⋯O hydrogen bond.
CCDC reference: 1452282
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The molecular and crystal structures of the protonated N,N′-diphenyl-4-methoxybenzamidine derivative are reported as a nitrate salt.
CCDC reference: 1501913
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Hydrogen-bonded chains propagating along [001] occur in the crystal of the title salt.
CCDC reference: 1502522
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The methoxy groups attached to the imidazolium ring of the cation adopt an anti conformation. In the crystal, weak inter-ionic C—H⋯F contacts are observed.
CCDC reference: 1502503
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The title 13-membered benzo[4,5]imidazo[1,2-d][1,2,4]triazine fused-ring system (r.m.s. deviation = 0.028 Å), makes a dihedral angle of 53.13 (7)° with the attached difluorophenyl ring and 79.98 (7)° with the attached pyridine ring. The crystal packing features aromatic π–π interactions between the 13-membered rings [shortest distance between ring centroids = 3.5682 (8) Å].
CCDC reference: 1501316
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The cation is protonated at the pyridine N atom and the anion is deprotonated. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O interactions link the components into a three-dimensional network.
CCDC reference: 1503086
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In both the R- and S-efonidipine molecules, the six-membered rings of the dioxaphosphinanyl moieties display a chair conformation and the dihydropyridine rings display a flattened boat conformation. In the crystal, N—H⋯O, C—H⋯O hydrogen bonds and weak C—H⋯π interactions link the molecules into a three-dimensional supramolecular structure.
CCDC reference: 1476969
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The title salt contains two cations and two anions in the asymmetric unit. In the crystal, N—H⋯O hydogen bonds link the components into [010] chains, which feature
(8) loops. The crystal structure is consolidated by weak C—H⋯O and π–π interactions, forming a three-dimensional network.
![R_{2}^{2}](/x/issues/2016/09/00/hb4080/teximages/hb4080fi1.gif)
CCDC reference: 1503875
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The cation is protonated at the pyridine N atom and the anion is deprotonated at the hydroxyl O atom. The molecular structure is stabilized by weak N—H⋯O hydrogen bonds and the crystal structure features N—H⋯O, hydrogen bonds, C—H⋯O and C—H..π interactions.
CCDC reference: 1503502
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The molecular and crystal structure of butyl 2-[(azidocarbonyl)amino]benzoate is reported. The crystal packing is stabilized by C—H⋯π hydrogen bonds and offset π–π stacking interactions.
CCDC reference: 1504127
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Nitramines have received considerable interest from organic chemists due to the large reactivity. The title compound was prepared by nitration of 4-fluoro-N-methylnitramine. In the crystal, molecules are connected by weak C—H⋯F and C—H⋯O bonds.
CCDC reference: 1504022
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The whole molecule of the title dicyanoethene derivative is generated by inversion symmetry. The pyridine ring is inclined to the plane of the dicyanoethene unit (N≡C—C=C—C≡N) by 20.2 (4)°. In the crystal, molecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets parallel to (1
1), and enclosing
(10),
(22) and
(22) ring motifs.
![\overline{2}](/x/issues/2016/09/00/hg4014/teximages/hg4014fi1.gif)
![R_{2}^{2}](/x/issues/2016/09/00/hg4014/teximages/hg4014fi2.gif)
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![R_{4}^{4}](/x/issues/2016/09/00/hg4014/teximages/hg4014fi4.gif)
CCDC reference: 1504520
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The perchlorate salt of the histamine dication crystallizes in the monoclinic space group P21/c with two formula units in the asymmetric unit. One of the histidine dications is disordered and two of the four perchlorate anions are disordered.
CCDC reference: 1505211
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In the title organic salt complex, the cations are protonated at the pyridine N atoms and the anions are deprotonated at the hydroxyl O atoms. The crystal structure is formed by N—H⋯O and weak C—H⋯O hydrogen bonds, completed by π–π interactions.
CCDC reference: 1505554
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In the title molecular salt, the conformation of the anionic tetrathiacalix[4]arene, which is cone-shaped, is primarily determined by intramolecular O—H⋯O hydrogen bonds.
CCDC reference: 1504583
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The dihydropyrazine ring of the title compound has a screw-boat conformation. The two pyridine rings are inclined to the mean plane of the dihydropyrazine ring by 30.78 (11) and 39.37 (9)°, and to one another by 62.53 (10)°.
CCDC reference: 1504682
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The crystal structure of 4,7-dichloro-1H-indole-2,3-dione is reported. In the crystal, molecules are linked by N—H⋯O, C—H⋯O and π–π interactions.
CCDC reference: 1505439
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In the crystal struture of the title compound, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an
(8) ring motif. Within the dimers, which stack along the a-axis direction, there is a weak π–π interaction [centroid-to-centroid distance = 3.5428 (11) Å] involving inversion-related thiophene rings.
![R_{2}^{2}](/x/issues/2016/09/00/hg4013/teximages/hg4013fi1.gif)
CCDC reference: 1504924
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The synthesis and crystal structure of the title imidazolium salt are reported.
CCDC reference: 1505734
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The asymmetric unit of the title molecular salt comprises a pyridinium cation and an I− anion. The cation exists in an E,E conformation with respect to the two C=C bonds, and is relatively planar with the pyridinium ring being inclined to the benzene ring by 10.8 (2) °.
CCDC reference: 1487591
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The asymmetric unit of the title compound, contains two crystallographically independent molecules (A and B) with nearly matching conformations [r.m.s. overlay fit for the non-hydrogen atoms = 0.011 (1) Å]. The two molecules are linked by a pair of O—H⋯O hydrogen bonds, enclosing an
(8) ring motif, and forming an A–B dimer.
![R_{2}^{2}](/x/issues/2016/09/00/su4070/teximages/su4070fi1.gif)
CCDC reference: 1484421
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The title compound, C19H18N2O2, crystallizes with two independent molecules in the asymmetric unit which differ significantly in conformation. The two molecules are linked via C—H⋯O hydrogen bonds, forming dimers which pack in rows approximately parallel to the c axis.
CCDC reference: 1504053
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The title molecule is essentially planar and contains one of the three methyl groups from the tert-butyl group within the plane. A mirror plane through the plane of the molecule allows the third methyl group outside the plane to be symmetrically generated opposite the second one.
CCDC reference: 1504684
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Pyrazine compounds have received considerable interest from organic chemists due to their large reactivity. The title compound was obtained by reaction of 2-aminopyrazine with isobutyryl chloride. In the crystal, molecules are connected by I⋯N halogen bonds.
CCDC reference: 1504625
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The N—N bond length in the title compound indicates significant double-bond character. In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming zigzag chains.
CCDC reference: 1506353
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In the crystal title compound, a thiosemicarbazide derivative, molecules are linked via O—H⋯N and N—H⋯O hydrogen bonds, forming chains along [001]. The chains are linked by O—H⋯S and N—H⋯S hydrogen bonds, forming a three-dimensional framework.
CCDC reference: 1506723
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The cation is protonated at the amine N atom and the anion is deprotonated at one of the carboxylic acid hydroxy groups. The crystal structure features weak N—H⋯O and O—H⋯O hydrogen bonds.
CCDC reference: 1498051
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The crystal structure of the title compound features N—H⋯O and O—H⋯O hydrogen bonds, and C—H⋯O and C—H⋯π interactions.
CCDC reference: 1507058
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In the structure of 5,7-dichloro-1H-indole-2,3-dione, the molecules dimerize through two N—H⋯O hydrogen bonds.
CCDC reference: 1506169