In the title molecule, C15H22O2, there is an intramolecular hydrogen bond involving the hydroxy and aldehyde groups and forming an S(6) ring. The mean plane of the non-H atoms of this ring [(H)O—C C—C=O, with a maximum deviation of 0.013 (1) Å] are essentially coplanar with the benzene ring, forming a dihedral angle of 2.29 (8)°.
In the title solvated salt, [Ag(C18H15P)4](CF3CO2)·C2H5OH, the AgI atom is coordinated by four P atoms from triphenylphosphane ligands in a distorted tetrahedral geometry. The anion and solvent are engaged in weak O—H⋯O hydrogen bonds. Of the four triphenylphosphane ligands, two each have an equally disordered phenyl ring while the AgI atom is disordered over two positions in a 0.9595 (15):0.0405 (15) ratio and the trifluoroacetate anion is equally disordered over two positions with respect to the lattice ethanol molecule.
The AgI atom in the title hydrated solvated salt, [Ag(C18H15As)4](CF3CO2)·0.5CH3OH·0.5H2O, is coordinated by four As atoms from triphenylarsane ligands in a distorted tetrahedral geometry. In the crystal, O—H⋯O hydrogen bonding occurs between carboxylate groups of anions and lattice solvent molecules. Of the four triphenylarsane ligands in the Ag complex cation, two each have an equally disordered phenyl ring while the trifluoroacetate anion is disordered over two positions with respect to the lattice methanol and water molecules which both show half-occupyncy. The crystal studied was a non-merohedral twin with a 13.6 (1)% contribution of the minor twin component.
In the crystal of the title compound, [Cd2Na2(C2H3O2)2(C21H24N2O4)2]·0.67C2H6O, the doubly deprotonated Schiff base ligand N,N′,O,O′-chelates to the CdII cation, which is also O,O′-chelated by the acetate ion. Two Cd–Schiff base units are connected to two Na+ atoms to form the tetranuclear complex, in which the Cd2+ and Na+ cations show distorted octahedral coordinations. The asymmetric unit consists of half a tetranuclear molecule (lying on an inversion center) and a full tetranuclear molecule (lying on a general position) along with a lattice ethanol molecule, which links to the coordinating acetate ion via an O—H⋯O hydrogen bond. In the crystal, the propyl and ethyl groups of the complex molecule are disordered over two positions in a 1:1 ratio; the ethyl group of the lattice ethanol molecule is also equally disordered over two positions.
The molecule of the title compound, C18H21N9, is nearly planar, with the three pyrazole rings aligned at 2.40 (5), 9.27 (5) and 9.71 (5)° with respect to the triazine ring. The triazine ring is planar (r.m.s. deviation = 0.005 Å), the distortion from a hexagonal arrangement arising from the angles at the N [112.4 (1)–113.1 (1)°] and C [127.1 (1)–127.6 (1)°] atoms deviating from 120°. The crystal studied was an inversion twin.
In the title salt (common name l-carnitine hydrochloride), C7H16NO3
+·Cl−, the organic cation features a carboxylic part (–CO2H) having unambigous single- and double-bonds [1.336 (2), 1.211 (2) Å]. There is a large N—C—C bond angle [115.9 (1)°] for the C atom connected to the bulky trimethylamino substituent. In the crystal, the acid H atom forms a hydrogen bond to the chloride anion, whereas the hydroxyl H atom forms a longer hydrogen bond to the anion, generating a helical chain running along .
The unit cell of the title compound, C7H6O4·H2O, features four independent formula units; the individual carboxylic acid molecules themselves are nearly planar (r.m.s. deviations = 0.0189, 0.0334, 0.0356 and 0.0441 Å). Two independent molecules each form two hydrogen bonds by acid–carbonyl O—H⋯O interactions and the dimers are also nearly planar (r.m.s. deviations = 0.039 and 0.049 Å). The two independent dimers are aligned at 44.5 (1)°. Other O—H⋯O interactions involving the hydroxy groups and water molecules give rise to a three-dimensional network.
In the title ammonium polyoxometallate salt, (C6H16N)4[H2V10O28], the anion features O atoms engaged in μ6-, μ3- and μ2-bridging of adjacent VV atoms, confering an octahedral coordination at each of the twenty unique metal atoms. Two anions are linked by μ3- and μ2-bridged OH units across a center of inversion, forming a dimer which is linked to the cations by N—H⋯O hydrogen bonds. The cation is disordered over two positions in a 0.776 (4):0.224 (4) ratio in one of the two independent ion pairs in the asymmetric unit, and 0.627 (10):0.373 (10) in the other.
The SnIV atom in the centrosymmetric dinuclear title compound, [Sn2(C4H9)4(C7H3NO4)2(H2O)2], exists in a trans-C2SnNO4 pentagonal–bipyramidal geometry. There are two half-molecules in the asymmetric unit that are completed by inversion symmetry. The crystal studied was a non-merohedral twin with a ratio of 47.3 (1)% for the minor twin component. Bond dimensions are similar to those found in the tetragonal polymorph [Huber et al. (1989 ▶). Acta Cryst. C45, 51–54]. O—H⋯O hydrogen-bonding interactions stabilize the crystal packing.
The Sn(IV) atom in the title compound, [Sn(C4H9)2Cl2(C12H8N2)], is chelated by the N-heterocycle; the n-butyl groups are trans to each other whereas the Cl atoms are cis to each other. The crystal studied was a non-merohedral twin with the minor domain being in a 15.8 (1)% proportion.
The aromatic ring of the title compound, C6H3ClN2O5, is almost planar (r.m.s. deviation = 0.007 Å); one nitro substituent is nearly coplanar with the ring [dihedral angle = 3(1)°], whereas the other is twisted [dihedral angle = 36 (1)°]. The phenol OH group is intramolecularly hydrogen bonded to the nitro group that is coplanar with the ring, generating an S(6) graph-set motif.
The asymmetric unit of the title organotin(IV) compound, [Sn(C4H9)2(C5H3N2O2)2(H2O)], contains one-and-a-half molecules. The half-molecule is completed by crystallographic twofold symmetry, with its Sn and water O atoms lying on the rotation axis. Both molecules feature seven-coordinate Sn atoms in trans-C2SnN2O3 pentagonal-bipyramidal coordination environments. The carboxylate anions N,O-chelate to the Sn atom. In the crystal, the carboxylate O atoms not involved in coordination serve as acceptors for O—H⋯O hydrogen bonds from adjacent water molecules, generating a three-dimensional network.
In the title salt, C7H11N2
−, the essentially planar cation (r.m.s. deviation = 0.006 Å) forms an N—H⋯Br hydrogen bond to one of the Br atoms of the almost linear anion [Br—Br—Br = 179.31 (2)°]. The crystal studied was found to be a racemic twin. The whole-molecule disorder of the cation and anion about a twofold rotation axis described earlier [Ng (2009). Acta Cryst. E65, o1276] is an artifact of halving one of the axes of the orthorhombic unit cell.
In the centrosymmetric title compound, C18H12N2S24, the five- (r.m.s. deviation = 0.002 Å) and six-membered (r.m.s. deviation = 0.002 Å) rings are essentially coplanar [dihedral angle between rings = 1.9 (1)°].
The K atom in the title complex, [K(C10H6NO2)(C10H7NO2)3], lies on a twofold rotation axis that relates one N,O-chelating quinoline-2-carboxylic acid to the other; their N and O atoms are cis to each other in the distorted octahedral coordination geometry. The K atom is also coordinated by another monodentate quinoline-2-carboxylic acid; the acid is disordered with respect to a monodentate quinoline-2-carboxylate anion; the acid and anion are linked by an O—H⋯O hydrogen bond. An O—H⋯N hydrogen bond links adjacent molecules into a linear chain structure along the a axis.
In the title compound, C5H3ClN2O2, the nitro group is twisted by 38.5 (2)° with respect to the pyridine ring. In the crystal, adjacent molecules are linked by non-classical C—H⋯N and C—H⋯O hydrogen bonds, forming a layer motif.
The non-H atoms of the title compound, C5H3ClN2O2, almost lie in a common plane (r.m.s. deviation = 0.090 Å). In the crystal, adjacent molecules feature a short Cl⋯O contact [3.068 (4) Å], forming a chain; these chains are consolidated into a layer structure by non-classical C—H⋯O interactions.
The non-H atoms of the title compound, C6H8N2, lie in a common plane (r.m.s. deviation = 0.034 Å). In the crystal, adjacent molecules are linked by intermolecular N—H⋯N hydrogen bonds into a zigzag chain running along the c axis.
The asymmetric unit of the title compound, 7C10H8N2·4C10H13N3O2S·2H2O, contains two independent 2,4-hydroxybenzaldehyde 4-ethylthiosemicarbazone molecules, three and a half 4,4′-bipyridine molecules and one water molecule. Two of the 4,4′-bipyridine molecules lie on general positions and the other three on centers of inversion. The two 4,4′-bipyridine molecules on general positions and one of the three on special positions are disordered over two positions each with an occupancy of 0.50. The –NH—C(=S)—NH—NC fragment is close to planar in the two 2,4-hydroxybenzaldehyde 4-ethylthiosemicarbazone molecules (r.m.s. deviations = 0.04 and 0.05 Å). In the crystal, the Schiff base, N-heterocycle and water molecules engage in O—H⋯O, O—H⋯N and N—H⋯O hydrogen-bonding interactions, generating a layer structure.
The title molecule, C16H11NO2, is disordered about a pseudo-twofold rotation axis that approximately bisects the molecule along the C=O double bond. The two overlapping components are planar [r.m.s. deviation = 0.10 Å in the major 0.537 (4) component and 0.07 Å in the minor component]. The two components are aligned at 1.8 (3)°.
In the crystal structure of the title salt, K3[Pb(CH3COO)2(NCS)](NCS)2, the [Pb(CH3COO)2(NCS)]− anion exists as a covalently bonded entity in which the acetate anions chelate in an anisobidentate manner. The Pb atom shows a distorted ψ-octahedral coordination to four acetate O atoms and one isocyanate N atom, with the stereochemically active lone pair occupying one of the six sites. When the three longer Pb⋯S interactions are considered, the eight-coordinate geometry is based on a dodecahedron. The Pb(CH3COO)2(NCS)]− anion has mirror symmetry. The potassium cations connect the other constituents into a three-dimensional network through electrostatic K⋯N and K⋯S interactions.
The 5-chloro-8-hydroxyquinolinium cation in the the title ion pair, C9H7ClNO+·NO3
−, is approximately coplanar with the nitrate anion [dihedral angle = 16.1 (1)°]. Two ion pairs are hydrogen bonded (2 × O—H⋯O and 2 × N—H⋯O) about a center of inversion, generating an R
In the crystal of the title compound, C18H15OP·0.5H2O, a water molecule links to two adjacent triphenylphosphine molecules by way of O—H⋯O hydrogen bonds. The crystal is twinned, the minor twin component being 36%.
In the six-membered ring of the low-temperature crystal structure of benzofurazan 1-oxide, C6H4N2O2, the two C atoms adjacent to the N atoms are linked by a delocalized aromatic bond [1.402 (2) Å]; each is connected to its neighbour by a longer, more localized, bond [1.420 (2), 1.430 (2) Å]. However, the next two bonds in the ring approximate double bonds [1.357 (2), 1.366 (2) Å]. As such, the six-membered ring is better described as a cyclohexadiene system, in contrast to the description in the room-temperature structure reported by Britton & Olson (1979 ▶) [Acta Cryst. B35, 3076–3078].
In the title salt, C7H11N2
−, the cation and the near-linear anion [Br—Br—Br = 179.41 (8)°] both show whole-molecule disorder about crystallographic twofold rotation axes. The cation is weakly hydrogen-bonded to the anion by an N—H⋯Br interaction. The crystal studied was found to be a racemic twin, with a twin component of nearly 50%.