organic compounds
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In title molecule, C11H11F3N2O2, the central –N—C(=O)—N– unit is essentially planar [maximum deviation = 0.013 (2) Å] and forms a dihedral angle of 57.33 (9)° with the benzene ring. The morpholine ring is in a chair conformation. In the crystal, molecules are linked into chains along [001] by N—HO hydrogen bonds.
metal-organic compounds
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In the title one-dimensional coordination polymer, {[Ni(CHO2)2(C20H14N4)(H2O)2]·2H2O}n, the NiII atom lies on a crystallographic inversion centre. It is coordinated by two formate O atoms, two water O atoms and two N atoms from two 1,4-bis(1H-benzimidazol-1-yl)benzene (bzb) ligands, resulting in a distorted trans-NiN2O4 octahedral coordination geometry. The bzb molecule acts as a bridging ligand to connect the metal atoms into a chain propagating in [1]. The dihedral angle between the benzimidazole ring and the central benzene ring in the ligand is 38.16 (9)°. In the crystal, O—HO hydrogen bonds crosslink the chains into (010) sheets.
metal-organic compounds
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In the title one-dimensional coordination polymer, [Cu(SiF6)(C3H4N2)4]n, the CuII atom is coordinated by two hexafluoridosilicate F atoms and four pyrazole N atoms in a distorted trans-CuF2N4 octahedral environment. The dihedral angle between the planes of the pyrazlole rings in the asymmetric unit is 74.4 (3)°. The hexafluoridosilicate dianion acts as a bridging ligand, connecting the CuII atoms into a [1-10] chain. The Cu and Si atoms lie on special positions with 2/m site symmetry. In the crystal, intrachain N—HF hydrogen bonds occur and weak C—HF interactions link the chains.
organic compounds
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The title compound, C21H20O2S2, forms a propeller-shaped structure with the tetrahedral C atom as the central hub and methoxybenzene and phenyl residues as radiating blades. Short C—Hπ contacts are observed.
organic compounds
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Each molecule of the title compound, C12H18N4O6, is located on an inversion centre at the mid-point of the central N—N bond. The azo groups C=N of the Schiff base group have an E conformation and the azo groups in the oxime C=N—O groups have a Z conformation. O–HO hydrogen bonds link neighbouring molecules into infinite monolayers perpendicular to the a axis.
organic compounds
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In the structure of the title compound, C7H10OS4Si, the carbonyl O atom lies in the plane of the five-membered dithiole ring with a deviation of only 0.022 (2) Å. The seven-membered ring adopts a chair conformation. The crystal packing is stabilized by SO [3.096 (4) Å] and SS [3.620 (4) Å] contacts, together with C—HS interactions.
organic compounds
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In the title salt {systematic name: 4-diphenylmethyl-1-[(E)-3-phenylprop-2-en-1-yl]piperazin-1-ium 2,4,6-trinitrophenolate), C26H29N2+·C6H2N3O7−, the cinnarizinium cation is protonated at the piperazine N atom connected to the styrenylmethyl group; the piperazine ring adopts a distorted chair conformaiton. In the crystal, bifurcated N—H(O,O) hydrogen bonds link the components into two-ion aggregates.
organic compounds
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In the title compound, C16H12O2S, the phenyl ring is nearly perpendicular to the naphthalene system [dihedral angle = 80.3 (1)°]. The packing is consolidated by a weak C—Hπ interaction involving neighbouring naphthalene and benzene rings. In addition, there exist two different offset π–π stacking interactions between benzene rings and between naphthalene systems of symmetry-related molecules [centroid–centroid distances = 3.876 (9) and 3.566 (4) Å, and slippage = 1.412 and 0.554 Å, respectively.
organic compounds
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The asymmetric unit of the title compound, C17H20ClN2+·C6H2N3O7−·H2O, contains a piperazin-1-ium cation, a picrate anion and one solvent water molecule. The piperazene ring is protonated at one N atom and adopts a highly distorted chair conformation with the chloropheny(phenyl)methyl substituent on the second N atom in an equatorial position. The crystal structure is stabilized by O—HO, N—HO and C—HO hydrogen bonds.
organic compounds
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In the title salt adduct, C17H21ClN22+·2C2Cl3O2−·C2HCl3O2, the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59 (3):0.41 (3), 0.503 (12):0.417 (12) and 0.653 (12):0.347 (12). The piperazine ring adopts a chair conformation, with puckering parameters QT = 0.587 (3) Å, θ = 2.6 (2) and Φ 334 (6)°. In the crystal, neighbouring molecules are linked by N—HO, O—HO, N—HCl, C—HO and C—HCl hydrogen bonds, forming a three-dimensional network.
organic compounds
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The title compound, C18H14O, is polymorphic at 123 K. The orthorhombic form reported herein has two independent molecules in the asymmetric unit, with molecular volume 313.5 Å3. The previously reported triclinic (P-1) form [Raston & Scott (2000). Green Chem., 2, 49–52] has molecular volume 309.6 Å3 at the same temperature. All three molecules deviate significantly and systematically from the putative Cs symmetry (δr.m.s. = 0.0265, 0.0256, 0.0497 Å). Comparison of the two molecules in the orthorhombic polymorph shows that 16 of the 19 equivalent pairs of framework atoms have a mirror-image pattern of deviations (above/below plane), suggesting that the two are quasi-enantiomorphs. The pattern of deviations in the triclinic form is nearly the same (13 of 19 atom pairs) as the orthorhombic form.