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In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O—H...O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, molecules are linked by N—H...O interactions, forming chains parallel to [101]. There are no significant C—H...π or π–π interactions in the crystal structure.

The title molecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enantiomeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclohexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclohexene ring adopts a half-chair conformation, the hydroxy- and carboxyl-substituted C atoms lying −0.336 (1) and 0.419 (1) Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002 Å). In the crystal, O—H...O hydrogen bonds link the molecules into a chain along the c-axis direction.

The title compound, [Cu(C4H2Cl6N3)2], was obtained by the reaction of CCl3CN with ammonia in presence of CuCl. The CuII atom is located about an inversion centre. The molecule consists of three planar units (one central square CuN4 and two C2N3 fragments), adopting a staircase-like structure. The six-membered metallocycles have a sofa conformation with the Cu atom out of the plane of the 1,3,5-triazapentadienyl ligands by 0.246 (5) Å. The ipso-C atoms of the CCl3 substituents are slightly out of the 1,3,5-triazapentadienyl planes by 0.149 (6) and −0.106 (6) Å. The CCl3 groups of each 1,3,5-triazapentadienyl ligand are practically in the energetically favourable mutually eclipsed conformation. In the crystal, the molecules are packed in stacks along the a axis. The molecules in the stacks are held together by two additional axial Cu...Cl interactions of 3.354 (2) Å. Taking the axial Cu...Cl interactions into account, the CuII atom exhibits a distorted [4 + 2]-octahedral coordination environment. The stacks are bound to each other by weak intermolecular attractive Cl...Cl [3.505 (2)–3.592 (3) Å] interactions.

In the title compound, C21H25NO3, the hydropyridine ring that constitutes a part of the hexahydroquinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088 Å) by 0.454 (3) Å. The phenyl ring is aligned at 85.5 (1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N—H...O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along [100]. The ethyl group is disordered over two positions in a 0.609 (6):0.391 (6) ratio.

The cyclohexene ring that constitutes a part of the tetrahydroxanthene fused-ring system of the title compound, C23H26O4, adopts a flattened half-chair conformation that approximates an envelope conformation (in which the methylene C atom bearing the two methyl substituents represents the flap) as five of the six atoms lie approximately on a plane (r.m.s. deviation = 0.020 Å). The mean plane of the cyclohexene ring with the hydroxy substituent is approximately perpendicular to the mean plane of the tetrahydroxanthene system. In the crystal, adjacent molecules are linked by O—H...Ocarbonyl hydrogen bonds into a chain running along the b axis.

The CuII atom in the title compound, [Cu(C12H11N2O4)2(C10H14N2O)(H2O)]n, lies in a square plane defined by the O atoms of the carboxylate ions, the N atom of the N-heterocycle and the water molecule. Coordination by an amido O atom of an adjacent N-heterocycle in the apical direction leads to a polymeric chain running along [01-1]. The chain motif is consolidated by hydrogen bonds involving the water molecule; the water molecule is a hydrogen-bond donor to the free carbonyl atoms of the carboxylate ions. Intramolecular N—H...O hydrogen bonds also occur.

The complete molecule of the title compound, C28H38O2, is generated by a crystallographic centre of symmetry. The molecular conformation displays an intramolecular C—H...π interaction.

In the title compound, C17H19NO5, the cyclohexene ring is in a half-chair conformation and the isoxazole ring in an envelope conformation with the N atom as the flap. The C atoms in the 4- and 6-positions are of the same absolute configuration, whereas the C atom in the 5-position is of the opposite configuration, i.e. (4S*,5R*,6S*). The methyl fragment of the ethoxycarbonyl group at position 5 is disordered over two sets of sites in a 0.60:0.40 ratio. The crystal packing displays intermolecular N—H...O and O—H...O hydrogen bonds.

In the title compound, C6H12N2O2S, the heterocyclic ring has a sofa conformation. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen-bond interaction with graph-set motif S(6). In the crystal, molecules are linked by O—H...S, N—H...S and N—H...O hydrogen-bond interactions, forming an extended two-dimensional framework parallel to the ac plane.

In the title compound, C16H25NO, the N-tert-butylpropanamide fragment is essentially planar, with the exception of two C atoms of the tert-butyl group (r.m.s. deviation = 0.005 Å), forming a dihedral angle of 84.09 (10)° with the plane of the mesityl fragment (r.m.s. deviation = 0.002 Å). The crystal packing is stabilized by an intermolecular N—H...O hydrogen bond, which links the molecules into chains with graph-set notation C(4) running parallel to the c axis.

In the title compound, [Cu(C8H4F3O2S)2(C10H14N2O)], the CuII atom exists in a distorted CuNO4 square-pyramidal geometry; the metal atom lies above a square plane defined by four O atoms of the two chelating anionic ligands, displaced in the direction of the axial occupant, the pyridine N atom, by 0.179 (1) Å. Weak intermolecular C—H...O and C—H...F hydrogen bonding is present in the crystal structure. One thienyl ring is disordered over two orientations in an occupancy ratio of 0.69 (1):0.31.

The molecule of the title compound, C22H26O2, exhibits Ci molecular symmetry with a crystallographic inversion centre at the mid-point of the central C—C bond. A kink in the molecule is defined by the torsion angle of 66.7 (2)° about this central bond of the alkyl bridge.

The title compound, [K(C17H18NO5)]n, reveals the relative configuration (4R*,5S*,6R*) whereas its crystals are racemic. The cyclohexane ring adopts a half-chair conformation and the isoxazole ring has an envelope conformation. The ethyl fragment of the ethoxycarbonyl group at position 5 is disordered in a 0.547 (7):0.453 (7) ratio. The K+ ion is surrounded by five O atoms from three ligands at distances ranging from 2.606 (2) to 3.028 (2) Å, generating a three-dimensional network. The crystal packing displays intermolecular O—H...N and O—H...O hydrogen bonds in which the hydroxy group acts as a double proton donor.

In the title compound, C20H26N2OS, four non-H atoms of the thiourea unit are approximately planar (r.m.s. deviation = 0.005 Å); the phenyl and benzene rings are twisted out of this plane by 28.55 (7) and 60.00 (7)°, respectively. An intramolecular N—H...O hydrogen bond occurs. The hydroxy group is hydrogen bonded to the double-bond S atom of an inversion-related molecule, generating a hydrogen-bonded dimer in the crystal structure.

The six-membered oxacyclohexene ring of the title compound, C13H14N2O2S, is fused with the benzene ring and the quarternary C atom lies above the plane of the benzene ring by 0.229 (8) Å, whereas the methine C atom (which bears the acetyl substituent) lies below this plane by 0.595 (8) Å. The oxacyclohexene ring is also fused with the sofa-shaped 2,6-diazacyclohexanone ring. The methine C atom that belongs to both six-membered rings lies above the mean plane of the other five atoms (r.m.s. deviation = 0.077 Å) by 0.759 (5) Å. In the crystal, N—H...S hydrogen bonds link adjacent molecules into a linear chain.

The title compound, C17H20N2O2, is chiral but crystallizes in a centrosymmetric space group as a racemate, the relative configuration at the stereogenic centres being 2S*,3R*,4S*. The cyclohexane ring adopts a half-chair conformation while the pyrazole ring has an envelope conformation. The crystal packing displays intermolecular O—H...N and N—H...O hydrogen bonding.

The title compound, C10H11Cl5O, is a chiral molecule with two stereogenic centres. However, it crystallizes as a racemate. One of enantiomers reveals the relative configuration (2S*,5R*). The cyclohexene ring adopts a half-chair conformation.

The methylaminopropyl chain in the title compound, C13H21NO, adopts an extended zigzag conformation and the N atom shows a trigonal coordination. The N atom acts as hydrogen-bond acceptor to the hydroxy group of an adjacent molecule, generating a helical chain running along the b axis. The amino H atom is not involved in hydrogen bonding.

In the title 2-propanol derivative, C17H27ClO2, the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hydroxy O atom belonging to the alkyl substituent of an adjacent molecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73 (4):0.27 (4) ratio.

The title molecule, C21H30N2O5, is chiral with four stereogenic centres. The crystal is a racemate and consists of enantiomeric pairs with the relative configuration rac-(6S*,7R*,8R*,9S*). The ethyl fragment of the ethoxycarbonyl group at position 6 is disordered in a 0.46 (3):0.54 (3) ratio. The crystal structure features intermolecular N—H...O. Intramolecular O—H...N and N—H...O hydrogen bonds also occur.

In the title compound, C17H20N2O4·H2O, the cyclohexene ring adopts a half-chair conformation while the indazole ring is essentially planar [maximum deviation = 0.0192 (12) Å]. In the crystal, pairs of intermolecular O—H...N hydrogen bonds link the molecules into dimers lying about inversion centers and intramolecular O—H...O hydrogen bonds result in six-membered rings. The dimers are further connected by N—H...O and O—H...O hydrogen bonds.

In the title compound, C25H28N2O4, the cyclohexene ring adopts a half-chair conformation and the dihedral angle between the aromatic rings is 59.44 (11)°. In the crystal, a weak intermolecular N—H...O hydrogen bond occurs.

The title compound, C21H29NO6, is chiral with three stereogenic centres. The crystal is a racemate and consists of enantiomeric pairs with the relative configuration rac-(2R*,3S*,4R*). The ethyl fragment of the ethoxycarbonyl group at position 1 is disordered in a 0.60:0.40 ratio. The crystal packing displays intermolecular O—H...O hydrogen bonding. An intramolecular N—H...O hydrogen bond also occurs.

The structure of the title compound, C17H19NO3, is of interest with respect to antibacterial properties, antibiotic properties and biological activity. The structure displays intermolecular O—H...N hydrogen bonding.

The organic molecule in the title hydrate, C9H9N3O3·H2O, was obtained by the condenstation of salicylic aldehyde with urea in acetonitrile. The oxazine ring adopts a slightly distorted sofa conformation, with the N atom deviating from the plane passing through the other atoms of the ring by 0.267 (2) Å. The crystal structure displays intermolecular N—H...O and O—H...O hydrogen bonding.

The structure of the title compound, C17H21N2O2+·Cl−, is of interest with respect to its biological activity. The title compound comprises an organic cation and a chloride anion in the asymmetric unit. The positive charge is localized in a pyrazole moiety forming a pyrazolium cation. The structure displays intermolecular O—H...Cl and N—H...Cl hydrogen bonding.

In the title solvate, C30H24N4O2S·CH3CN, the substituted thiophene possesses approximate Cs(m) intrinsic symmetry, with the mirror plane passing through the S atom and the mid-point of the (Ph)C—C(Ph) bond. Despite the main backbone of the molecule being a long chain of conjugated bonds, it adopts a non-planar conformation due to the presence of various intra- and intermolecular hydrogen bonds. The hydrogen bonds result in twist configurations for both the amido and aminophenyl fragments relative to the central thiophene ring. There are two intramolecular Namine—H...O hydrogen bonds within the thiophene-2,5-dicarboxamide molecule that form seven-membered rings. In the crystal, the thiophene-2,5-dicarboxamide molecules form inversion dimers by four amide–amine N—H...N hydrogen bonds. The dimers are further linked into layers propagating in (100) both directly (via Namine—H...O hydrogen bonds) and through the acetonitrile solvate molecules (via amine–cyano N—H...N and CMe—H...O interactions).

The macrocycle of the title compound, C36H24N4O3S·2CHCl3, contains a rigid framework with the nitrogen and oxygen heteroatoms pointing in towards the center of the macrocyclic cavity. The macrocycle is essentially planar (r.m.s. deviation = 0.027 Å) except for the thiophene ring. The dihedral angle between the thiophene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intramolecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitrogen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thiophene. The two solvate chloroform molecules are bound to the carbonyl oxygen atoms of the ligand by weak C—H...O hydrogen bonding. In addition, the structure reveals intermolecular Cl...Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloroform solvate molecules. In the crystal, the macrocycles form layers parallel to (101), with an interlayer distance of 3.362 (3) Å. This short distance is determined by the stacking interactions between the amide carbonyl and imine fragments of neighboring ligands.