In the title molecule, C13H19NO4, except for two C atoms of the tert-butyl group, the non-H atoms are almost coplanar (r.m.s. deviation = 0.2542 Å). In the crystal, molecules are linked into centrosymmetric dimers by two intermolecular N—H⋯O hydrogen bonds, forming an R
2(10) ring motif.
The base molecule of the title co-crystal, C7H10N2O2S·C7H6O3, is essentially planar, with a maximum deviation of 0.0806 (14) Å for all non-H atoms. The acid molecule is also nearly planar, with a dihedral angle of 8.12 (14)° between the benzene ring and the carboxy group. In the crystal, the acid molecules form an inversion dimer through a pair of O—H⋯O hydrogen bonds with an R
2(8) ring motif. The pyrimidine molecules are linked on both sides of the dimer into a heterotetramer via O—H⋯N and C—H⋯O hydrogen bonds with R
2(8) ring motifs. The heterotetramers are further linked by weak C—H⋯O hydrogen bonds, forming a tape structure along [1-10].
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.
The molecule of the title Schiff base compound, C18H14N4, lies across a crystallographic inversion centre and adopts an E configuration with respect to the azomethine (C=N) bonds. The imino groups are coplanar with the aromatic rings with a maximum deviation of 0.1574 (12) Å for the N atom. Within the molecule, the planar units are parallel, but extend in opposite directions from the dimethylene bridge. In the crystal structure, pairs of intermolecular C—H⋯N hydrogen bonds link neighbouring molecules into centrosymmetric dimers with R
2(10) ring motifs. An interesting feature of the crystal structure is the short intermolecular C⋯C interaction with a distance of 3.3821 (13) Å, which is shorter than the sum of the van der Waals radius of a carbon atom.
The title compound, C42H72N2O5, a hindered amine light stabiliser (HALS) with the trade name Tinuvin 144 was prepared from bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butylmalonate and 2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol using lithium amide as a catalyst. In the molecule, both piperidine rings adopt chair conformations. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds occur.
In the title pyrimidine derivative, C24H28N2O3, the uracil unit is essentially planar with an r.m.s. deviation of 0.0054 (1) Å for the eight non-H atoms. The pyrimidine ring is tilted by a dihedral angle of 77.08 (7)° with respect to the aromatic ring of the 3,5-dimethylbenzyl substituent, whereas it is nearly parallel to the benzene ring of the phenethoxymethyl unit, with a dihedral angle of 8.17 (8)°. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by a pair of amide–uracil N—H⋯O hydrogen bonds into an inversion R
2(8) dimer. These dimers are stacked along the b axis through π–π interactions with a centroid–centroid distance of 3.9517 (8) Å. Weak C—H⋯π interactions are also present.
The title compound, C18H30N4O2, contains two tert-butyl urea groups, each connected to a benzene ring though a methylene group. One of the groups occupies a position almost normal to the aromatic plane with a C—N—C—C torsion angle of −94.4 (4)°, while the other is considerably twisted from the ring with a C—N—C—C torsion angle of −136.1 (4)°. In the crystal, pairs of molecules are connected to each other, forming centrosymmetric dimers in which two NH groups of one molecule act as hydrogen-bond donors to one carbonyl O atom of the other molecule. The dimers are linked into sheets parallel to (100) by N—H⋯O hydrogen bonds involving the remaining N—H and C=O groups.
In the title compound, C11H15NOS, the 3-(dimethylamino)prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thiophene ring. In the crystal, molecules are linked by pairs of C—H⋯O hydrogen bonds into inversion dimers with R
2(14) ring motifs. The dimers are stacked along the c axis through C—H⋯π interactions. The two methyl groups, attached to the thiophene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59 (4):0.41 (4) and 0.74 (4):0.26 (4), respectively.
In the title compound, C30H36N2O2S, the dihedral angle between the two aromatic rings of the biphenyl residue is 31.2 (1)°. The two methylene C atoms subtend an angle of 99.9 (1)° at the S atom. In the crystal, molecules form inversion dimers linked by pairs of N—H⋯O hydrogen bonds. The hydroxyl group is shielded by the tert-butyl residues and is therefore not involved in any hydrogen bonding.
In the title molecule, C26H17N3O2, both indole ring systems are essentially planar, with maximum deviations of 0.019 (2) and 0.033 (1) Å for the N atoms, and form dihedral angles of 34.40 (9) and 45.06 (8)° with the essentially planar pyrrole ring [maximum deviation = 0.020 (2) Å]. The dihedral angle between the two indole ring systems is 58.78 (6)°. In the crystal, molecules are connected by pairs of N—H⋯O hydrogen bonds, forming inversion dimers and generating R
2(8) rings. Weak π–π stacking interactions, with a centroid–centroid distance of 3.983 (2) Å, are also observed.
In the title compound [systematic name: (tert-butyldimethylsilyl)methanetriyl tris(4-methylbenzenesulfonate)], C32H44O10S3Si, the central C atom and the SiIV center are in a tetrahedral configuration. The interplanar angles between pairs of the three benzene rings of the 4-methylphenylsulfonyl units are 41.15 (10), 18.11 (10) and 44.09 (10)°. C—H⋯π interactions are observed in the crystal structure. Molecules are linked into screw chains along the b axis by weak C—H⋯O interactions. Weak intramolecular C—H⋯O hydrogen bonds are also present.
The title compound, C12H16O2, is approximately planar (r.m.s. deviation = 0.030 Å), apart from two methyl groups of the tert-butyl unit [deviations of the C atoms = 1.140 (2) and −1.367 (1) Å]. In the crystal, intermolecular O—H⋯O hydrogen bonds link the molecules into hexameric rings with R
6(48) graph-set motifs.
In the title compound, 2C6H9N2
2−·3H2O, the 1H-pyrazole-3,5-dicarboxylate anion is close to planar [maximum deviation = 0.208 (1) Å]. The two distinct 2-amino-5-methylpyridinium cations are also almost planar, with maximum deviations of 0.018 (2) and 0.014 (2) Å. In the crystal, pairs of intermolecular N—H⋯O and O—H⋯O hydrogen bonds connect neighbouring molecules into dimers, generating R
2(8) and R
4(8) ring motifs, respectively. Further intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network.
The title compound, [Ru2(C22H34Si2)(CO)4], contains two RuI atoms linked by a bridging (η5-tBuC5H2)2(SiMe2)2 ligand (tBu is a tert-butyl and Me is a methyl group) with an Ru—Ru bond length of 2.8401 (7) Å. The dihedral angle between the planes of the cyclopentadienyl rings of the ligand is 123.13 (19)°. The four terminal carbonyl ligands are bound in a symmetrical and staggered array. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers.
In the title compound, C18H13BrN4S·C3H7NO, the thiopyran ring and the adjacent six-numbered ring adopt distorted boat conformations. The molecules, lying about inversion centers, form hydrogen-bonded dimers involving one of the H atoms on the amino group with the N atom of a cyano group of an adjacent molecule, resulting in a 12-membered ring system [R
2(12) ring motif]. The other H atom of the amino group forms an intermolecular hydrogen bond with the O atom of the dimethylformamide (DMF) molecule. Another lone pair of electrons on the same carbonyl O atom of DMF molecule forms a non-classical C—H⋯O intermolecular hydrogen bond, resulting in a chain of molecules.
In the title compound, C24H39NO2·H2O, the A and C rings of the pregnolene derivative sterol adopt chair conformations, with the B ring in a flattened chair conformation and the five-membered ring in an envelope conformation twisted about the C/D ring junction. The N-tert-butylcarboxamide substituent is equatorial. The 3β-hydroxy H atom and one H atom of the water molecule are disordered over two positions with equal occupancies. In the crystal structure, O—H⋯O hydrogen bonds between the 3β-hydroxy groups of neighbouring molecules form dimers in the bc plane and these dimers are stacked along the a axis by additional O—H⋯O hydrogen bonds involving the water molecules. The steric effect of the bulky tert-butyl substituent in the carboxamide chain precludes hydrogen-bond formation by the N—H group.
In the title compound, C14H10F3N7·2CH4O, the heterocyclic ring system is essentially planar (r.m.s. deviation = 0.009 Å) and makes a dihedral angle of 6.91 (8)° with the attached benzene ring. In the crystal, the main molecules form centrosymmetric R
2(8) dimers via pairs of N—H⋯N hydrogen bonds between the amino groups and pyrimidine N atoms. One of the independent methanol molecules and its inversion equivalent are linked to the dimers via O—H⋯N and N—H⋯O hydrogen bonds, forming R
4(16) graph-set motifs. The dimers along with the hydrogen-bonded methanol molecules are stacked along the a axis, with π–π interactions between the pyrazole and triazole rings [centroid–centroid distance = 3.4953 (10) Å].
In the title compound, C22H26BrNO6, the indole ring system is planar [maximum deviation 0.029 (2) Å]. The tert-butyl bound carboxylate group forms a dihedral angle of 17.54 (8)° with the indole ring system. In the crystal, molecules are linked into centrosymmetric R
2(10) dimers by paired C—H⋯O hydrogen bonds.
The title compound, C10H14N2O4S, was synthesized by the reaction of methyl 2-aminothiazole-5-carboxylate and di-tert-butyl carbonate. In this structure, the thiazole ring is planar (mean deviation = 0.0011 Å). Two weak intramolecular C—H⋯O hydrogen bonds are formed between two of the methyl groups and one carbonyl O atom, resulting in the formation of two twisted six-membered rings. Intermolecular N—H⋯N hydrogen bonds link the molecules to form centrosymmetric dimeric units, and the hydrogen-bond scheme is completed by intermolecular C—H⋯O contacts.
The title compound, C16H22O3, is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, the molecules are linked into infinite chains held together by weak C—H⋯O hydrogen-bonded interactions between an H atom on the benzene ring of one molecule and an O atom on the ketone functionality of an adjacent molecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydrophobic stacking, with short C—H⋯H—C contacts (2.37 Å) between adjacent chains
The title compound, C13H16N2O4, is approximately planar (r.m.s. deviation = 0.065 Å for the 19 non-H atoms). An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif and the molecule adopts an E conformation with respect to the central C=N double bond. In the crystal, pairs of intermolecular C—H⋯O hydrogen bonds link adjacent molecules into inversion dimers. The crystal structure also features weak C—H⋯π interactions.
In the title compound, C9H14BNO4, the carbonyl and boronic acid groups are essentially coplanar with the pyrrole ring and the boronic acid group has an exo-endo conformation. The exo-oriented OH is engaged in an intramolecular O—H⋯O interaction, while the endo-oriented one is involved in intermolecular hydrogen bonding to form centrosymmetric dimers. A supramolecular assembly is achieved through interactions involving the tert-butyl groups, forming infinite chains along the crystallographic b axis. There are, in addition, face-to-face and center-to-edge stacking interactions [distance between the pyrrole ring centroid and an N atom from a neighbouring molecule = 3.369 (8) Å].
In the title compound, C26H20N4O2S, the central pyrrolidine ring adopts a twist conformation on the C—C bond involving the spiro C atom. Its mean plane makes dihedral angles of 78.83 (14), 65.91 (15) and 44.49 (18)° with the mean planes of the adjacent oxindole ring system, the indole system and the thiophene ring, respectively. The indole and indoline units are essentially planar, with maximum deviations of 0.019 (3) and 0.090 (3) Å, respectively. In the oxindole fused-ring system, the pyrrole ring adopts an envelope conformation with the spiro C atom as the flap. In the crystal, pairs of N—H⋯O hydrogen bonds link the molecules, forming inversion dimers with an R
2(8) ring motif. The dimers are linked by further N—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to (100).
The whole molecule of the title β-enaminoester, C16H28N2O4, is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—H⋯O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17) Å]. The molecule is S-shaped with the planar central 1,4-diaminobutane segment [maximum deviation for non H-atoms = 0.0058 (13) Å] being inclined to the ethyl butylenonate fragment [C—C—O—C—C=C—C; maximum deviation = 0.0710 (12) Å] by 15.56 (10)°. In the crystal, molecules are linked via C—H⋯O interactions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.
In the title compound, C13H16N10O2S·C5H9NO·H2O, the entire 1-methylpyrrolidin-2-one (NMP) molecule is disordered over two sites with occupancies of 0.488 (5) and 0.512 (5). The six-membered triazine ring and the two five-membered pyrazole and thiadiazole rings, together with the diazene (–N=N–) linkage are almost coplanar (r.m.s. deviation for the non-H atoms = 0.0256 Å) with methyl groups from the tert-butyl substituent on the pyrazole ring located above and below the plane. Three intramolecular N—H⋯N hydrogen bonds contribute to the planarity of the system. The O atom of the NMP molecule is hydrogen bonded to an O—H group of water. In turn, the water molecule is hydrogen bonded to the mono-azo skeleton through intermolecular N—H⋯O and O—H⋯N hydrogen bonds. At both ends of the long molecular axis of the main molecule there are intermolecular N—H⋯N hydrogen bonds, arranged in a head-to-tail fashion, between the N—H group of the triazine ring of one molecule and the N atom of the thiadiazole ring of a neighboring molecule. These form a polymeric chain along  or . The main molecules are stacked alternately along the b axis, which effectively cancels their dipole moments. In addition, pairs of alternate molecules are dimerized via intermolecular hydrogen bonds involving the solvent molecules.