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 molecule, C16H25NO4, the non-H atoms, except for the two tert-butyl groups, are roughly planar (r.m.s. deviation of the non-H atoms = 0.086 Å). In the crystal, molecules are linked into inversion dimers by pairs of N—H⋯O hydrogen bonds, forming R
2(10) ring motifs.
In the title compound, C16H18N2O2, the molecule adopts an E conformation about the C=N double bond. The dihedral angle between the pyrrole and phenyl rings is 41.55 (8)°. In the crystal structure, pairs of intermolecular N—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers. In the dimer, the two pyrrole rings are almost coplanar and the two phenyl rings are parallel to each other.
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 molecule of the title compound [systematic name: 2-(4-tert-butylbenzyl)isoindoline-1,3-dione], C19H19NO2, is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, intermolecular C—H⋯O hydrogen bonds link adjacent molecules into centrosymmetric dimers. An additional weak C—H⋯O contact, together with weak C—H⋯π and π–π interactions [centroid–centroid distance = 3.961 (2) Å] generate a three-dimensional network.
In the title compound, C14H16N2O4S, the ethoxycarbonyl group is nearly planar, with an r.m.s. deviation of 0.0067 Å, and is almost coplanar with the pyrrole ring [dihedral angle = 5.81 (15)°], whereas it is inclined at a dihedral angle of 61.90 (13)° to the phenyl ring. The dihedral angle between the pyrrole and phenyl rings is 56.15 (13)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of N—H⋯O hydrogen bonds, forming rings of R
2(10) graph-set motif. The dimers are further connected by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions, forming layers parallel to the bc plane.
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.
The title compound, C26H28O3Si, is an allylic oxidation product of the tert-butyl(2,2-dimethyl-2,3-dihydrobenzofuran-7-yloxy)diphenylsilane with N-bromosuccinimide and 2,2′-azobis-isobutyronitrile. The nine-atom bicyclic system is almost planar, with an r.m.s deviation of 0.0123 (2) Å and a maximum deviation of 0.031 (2) Å for the O atom. In the crystal, the molecules pile up along the b axis but the strongest intermolecular contacts are the π–π stacking interactions between the benzene rings along the c axis [centroid–centroid distance = 3.655 (3) Å].
In the centrosymmetric binuclear title compound, [Cu2(C8H3ClO4)2(C12H12N2)2(H2O)4], the CuII ion is six-coordinated by two N atoms from a 5,5′-dimethyl-2,2′-bipyridine ligand, two bridging O atoms from two 3-chlorobenzene-1,2-dicarboxylate ligands and two water molecules in a distorted octahedral geometry. The binuclear complex molecules are linked together by intermolecular O—H⋯O hydrogen bonds into a layer parallel to (100). The layers are connected by C—H⋯Cl hydrogen bonds. Intramolecular O—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.5958 (16) Å] are also present.
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.
In the title compound, C10H12N6·C2H5OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191 Å), which adopts a conformation best described as intermediate between a flattened twisted boat and a half-boat with the tertiary Csp
3 atom at the bow. In the crystal, molecules form centrosymmetric dimers connected by N⋯H—O and O⋯H—N hydrogen bonds between the amino group H atom, the ethanol solvent molecule and the triazine N atom, making an R
4(12) graph-set motif. The other H atom of the amino group and the H atom on the endocyclic N atom form N⋯H—N hydrogen bonds with the N atoms of the pyrazole and pyridine rings, respectively, linking the molecules into C(7)C(7) chains with the R
2(8) binary graph-set motif running along .
In the title molecule, C17H14O4, the C atom of the carboxyl group deviates by 1.221 (3) Å from the plane [maximum deviation = 0.0122(2) Å] of the tricycic ring system. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers, and π–π interactions [centroid–centroid distances = 3.491 (3), 3.591 (3), 3.639 (3) and 3.735 (3) Å] link these dimers into layers parallel to the ac plane. Weak intermolecular C—H⋯O interactions further consolidate the crystal packing.
The title molecule, C13H11NO, is almost flat, the angle between the pyrrole and the phenyl rings being 10.9 (1)°. The atoms of the central C3O unit are coplanar, with a mean deviation from the plane of 0.001 (1) Å. The angles between this plane and the pyrrole and phenyl rings are 3.3 (1) and 8.0 (1)°, respectively. The molecules form centrosymmetric dimers through a pair of N—H⋯O hydrogen bonds with an R
The asymmetric unit of the title compound, C6H9ClN4, contains four independent molecules (A, B, C and D). Their main difference is the torsion angles, ranging from 1.6 (5) to 5.9 (5)°, between the methyl group and the pyrimidine plane. A pair of intermolecular N—H⋯N hydrogen bonds link molecules A and C into a twisted dimer with a dihedral angle of 32.9 (1)° between the two pyrimidine rings, creating an R
2(8) motif. In the packing, each two molecules of B, C and D form centrosymmetric dimers through two intermolecular N—H⋯N hydrogen bonds, locally creating R
2(8) motifs. The dimers of C and D are alternately bridged by A into an infinite zigzag strip, locally creating two different R
2(8) motifs with dihedral angles of 32.9 (1) and 63.4 (1)° between the pyrimidine rings. Finally, these strips together with the dimers of B associate into a complicated three-dimensional framework.
In the crystal structure of the title compound, C25H30N2O4, the steric size of the tert-butyl group causes the 3,5-dimethylphenyl ring to adopt a transoid geometry with respect to the N—C(O) bond. The six-membered heterocyclic ring is disordered over two sites, with occupancies of 0.553 (4) and 0.447 (4). Intramolecular C—H⋯O interactions are present. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯O hydrogen bonds.
In the title compound, [Mo(C15H22BN6)Cl(NO)(C9H13N)]·CH2Cl2, the MoI atom adopts a distorted MoClN5 octahedral geometry with the hydrotris(3,5-dimethylpyrazolyl)borate anion in an N,N′,N′′-tridentate tripodal (facial) coordination mode. A 4-tert-butylpyrine ligand, chloride anion and a nitrosyl cation complement the coodination of the MoI atom and an intramolecular C—H⋯Cl hydrogen bond helps to stabilize the configuration of the complex molecule. The packing is stabilized by an intermolecular C—H⋯Cl hydrogen bond involving the complex molecule and the CH2Cl2 solvent molecule.
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.
The tripeptide title compound, C32H53N3O6, synthesized in 80% yield by coupling of N-methyl-l-leucine benzyl ester with tert-butoxycarbonyl-l-leucyl-N-methyl-l-leucine at 273 K, conjugates through two amide linkages and includes two protecting groups: a tert-butyloxycarbonyl group at the C-tip and a benzyl group at the N-tip. A classical intermolecular N—H⋯O hydrogen bond and a weak non-conventional intermolecular C—H⋯O contact connect the molecules, forming layers parallel to (001).
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, 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 molecule of the title compound, C9H9N3O2, the indazole ring system is almost planar [maximum deviation = 0.019 (3) Å for the C atom bearing the nitro group]. In the crystal structure, intermolecular C—H⋯O interactions link the molecules into centrosymmetric dimers, forming R
2(18) ring motifs. Aromatic π–π contacts between indazole rings [centroid–centroid distances = 3.632 (1) and 3.705 (1) Å] may further stabilize the structure.
The title compound, C23H32Cl2N2O2, a potential chiral ligand for coordination chemistry, was prepared by a two-step reaction. The molecule is located on a crystallographic centre of inversion. As a result, the methyl group bonded to the methylene group is disordered over two equally occupied positions, sharing the same site as the H atom of the chiral C atom. As a further consequence of the crystallographic centrosymmetry, the 1,2-diaminopropane unit adopts an antiperiplanar conformation and the two benzene rings are coplanar. The central chain is in an all-trans arrangement. An intramolecular O—H⋯N hydrogen bond makes an S(6) ring motif. A C—H⋯π interaction links the molecules into one-dimensional chains along the  direction.
The title compound, C13H18N2O4, crystallizes as discrete molecules associated as N—H⋯O hydrogen-bonded dimers disposed about a crystallographic inversion centre. The structure is the first solid-state structure for a 3-acetylpyridone without C-4 to C-6 substituents. The amide subsituent at C-3 is coplanar with the pyridone ring, while the tert-butyl ester group is orthogonal to the pyridine ring. The amide and ester carbonyl O atoms are not involved in strong hydrogen bonding with only a number of intramolecular and intermolecular C—H⋯O interactions apparent in the structure.
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.
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.