The asymmetric unit of the title compound, C27H32N4O4·H2O, contains two independent benzimidazole-5-carboxylate molecules and two water molecules. In both main molecules, the pyrrolidine rings are in an envelope conformation with a methylene C atom as the flap. The morpholine rings adopt chair conformations. Both benzimidazole rings are essentially planar, with maximum deviations of 0.008 (1) Å, and form dihedral angles of 37.65 (6) and 45.44 (6)° with the benzene rings. In one molecule, an intramolecular C—H⋯O hydrogen bond forms an S(7) ring motif. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds connect pairs of main molecules and pairs of water molecules into two independent centrosymmetric four-compoment aggregates. These aggregates are connect by C—H⋯O hydrogen bonds leading to the formation of a three-dimensional network, which is stabilized by C—H⋯π interactions.
In the title compound, C24H25N3O5, the benzimidazole and benzodioxole ring systems are each approximately planar [maximum deviations = 0.043 (1) and 0.036 (1) Å, respectively]. Their mean planes form a dihedral angle of 42.85 (4)°. The pyrrolidine ring has an envelope conformation with one of the methylene C atoms forming the flap. In the crystal, weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. The crystal packing is further stabillized by weak π–π interactions between the benzene rings within the benzimidazole ring system [centroid–centroid distance = 3.7955 (7) Å]. A weak C—H⋯π interaction involving the benzodioxole ring is also present.
In the title compound, C24H27N3O5·H2O, the essentially planar benzimidazole ring system [maximum deviation = 0.020 (1) Å] forms dihedral angles of 54.10 (11) and 67.79 (6)°, respectively, with the mean plane of pyrrolidin-2-one ring and the benzene ring. The pyrrolidin-2-one ring adopts an envelope conformation with one of the methylene C atoms at the flap. An intramolecular C—H⋯π interaction is observed. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds link the two components into a double-tape structure along the a axis. The crystal packing is further stabilized by weak π–π stacking [centroid–centroid distance = 3.6632 (9) Å] and C—H⋯O interactions.
In the title compound, C23H24N4O5, the essentially planar benzimidazole ring system [maximum deviation = 0.008 (2) Å] forms a dihedral angle of 39.22 (7)° with the attached nitrobenzene ring. The pyrrolidin-2-one ring adopts an envelope conformation with a C atom as the flap. In the crystal, molecules are connected by C—H⋯O interactions, forming sheets propagating in (011). The crystal packing also features weak π–π stacking interactions [centroid–centroid = 3.6746 (12) Å].
In the title compound, C29H28N4O3, the pyrrolidine ring adopts a twist conformation whereas the oxindole and benzimidazole residues are approximately planar with maximum deviations of 0.159 (1) and 0.011 (1) Å, respectively. The oxindole residue is almost perpendicular to the benzimidazole residue, making a dihedral angle of 89.2 (1)°. The methyl-substituted benzene ring is oriented at angles of 47.7 (1) and 71.0 (1)°, respectively, with respect to the oxindole and benzimidazole residues. An intramolecular C—H⋯O hydrogen bond is observed. In the crystal, molecules associate via N—H⋯N hydrogen bonds, forming R
In the crystal structure of the title compound, C5H8N2O3, the molecules exist in the zwitterionic form. The pyrrolidine ring adopts an envelope conformation with the unsubstituted endocyclic C atom situated at the flap. The other four endocyclic atoms are coplanar with the exocyclic carbonyl O atom, with an r.m.s. deviation from the mean plane of 0.06 Å. The carboxylate substituent is located axially, while the ammonium group occupies an equatorial position. In the crystal structure, the molecules are linked through N—H⋯O hydrogen bonds, forming a three-dimensional network.
In the title compound, [Cu(C34H32N10)]SO4·H2O, the CuII ion is coordinated by six N atoms of a hexadentate N,N,N′,N′-tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine (EDTB) ligand, in a distorted octahedral environment. In the crystal structure, intermolecular N—H⋯O and weak C—H⋯O hydrogen bonds connect the cations, anions and water molecules into a three-dimensional network. The O atoms of the anion are disordered over two sites with refined occupancies of 0.711 (2) and 0.289 (2).
In the title compound, C23H25N3O3, the benzimidazole ring system is essentially planar [maximum deviation = 0.0240 (18) Å]. The mean plane through this ring system forms a dihedral angle of 42.23 (7)° with the benzene ring. The pyrrolidine ring is in an envelope conformation with the flap atom disordered over two sites with occupancies of 0.813 (11) and 0.187 (11). In the crystal, weak C—H⋯O hydrogen bonds form R
2(10) ring motifs, which are connected by further C—H⋯O interactions, forming ribbons along the b axis. The crystal structure is further stabilized by weak π–π interactions involving the imidazole and benzene rings of the benzimidazole ring system [centroid–centroid distances = 3.6788 (11) and 3.6316 (10) Å] and weak C—H⋯π interactions.
In the title compound, C28H27FN4O3·H2O, the benzimidazole ring system is essentially planar with a maximum deviation of 0.028 (1) Å. It makes dihedral angles of 47.59 (5) and 60.31 (5)°, respectively, with the pyridine and benzene rings, which make a dihedral angle of 22.58 (6)° with each other. The pyrrolidine ring shows an envelope conformation with one of the methylene C atoms as the flap. In the crystal, the components are connected into a tape along the b-axis direction through O—H⋯O and O—H⋯N hydrogen bonds and a π–π interaction between the pyridine and benzene rings [centroid–centroid distance of 3.685 (8) Å]. The tapes are further linked into layers parallel to the ab plane by C—H⋯O and C—H⋯F interactions.
In the title compound, C36H32N2O4S, the piperidine ring adopts a chair conformation, while the five-membered pyrrolidine (with a C atom as the flap atom) and thiazolidine (with the S atom as the flap atom) rings adopt envelope conformations. The naphthalene ring system makes dihedral angles of 18.82 (5) and 40.92 (5)° with the two methoxy-substituted benzene rings. In the crystal, centrosymmetrically-related molecules are linked into dimers via pairs of C—H⋯O and C—H⋯N hydrogen bonds. An intramolecular O—H⋯N hydrogen bond is also observed. The crystal structure is further stabilized by C—H⋯π interactions.
In the title compound, C34H32N2O8, one of the pyrrolidine rings in the pyrrolizidine ring system adopts a twist conformation, whereas the other ring adopts an envelope conformation (C atom as flap). The five-membered ring in the indene ring system and the fused furan ring also adopt envelope conformations (C and O atoms as flaps, respectively). The β-lactam ring makes dihedral angles of 23.41 (2) and 25.98 (2)°, respectively, with the attached methoxyphenyl and phenoxy rings. The molecular conformation is stabilized by an intramolecular O—H⋯N hydrogen bond, generating an S(5) motif. In the crystal, molecules are linked into C(12) chains running along the a axis by C—H⋯O hydrogen bonds. The structure is further consolidated by weak intermolecular C—H⋯π and π–π interactions [centroid–centroid distance = 3.7987 (14) Å].
There are two independent molecules in the asymmetric unit of the title compound, C16H11Cl2FO2. The F atom equally populates both meta positions of the 6-dichloro-3-fluorophenyl ring in each molecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5 (2) and 89.8 (8)°in the two molecules. In the crystal, weak C—H⋯F and C—H⋯O interactions involving the half-occupied H and F atoms are observed. Weak π–π stacking interactions [centroid—centroid distance = 3.150 (2) Å] also contribute to the crystal stability.
In the title compound, C24H20N2O3, the mean plane of the benzimidazole unit makes dihedral angles of 79.88 (11) and 85.44 (12)° with the benzene and 4-methoxybenzene rings, respectively. The benzene and 4-methoxybenzene rings maske a dihedral angle of 16.10 (14)°. A pair of intermolecular N—H⋯O hydrogen bonds connects adjacent molecules into an inversion dimer, generating an R
2(26) ring motif. The crystal structure is further stabilized by C—H⋯π interactions.
In the title molecule, C29H32N2O3, the piperazine ring has a chair conformation. The amide N atom is almost planar (bond angle sum = 359.5°), whereas the other N atom is clearly pyramidal (bond angle sum = 330.4°). The dihedral angle between the methoxybenzene rings is 81.29 (16)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds.
The title ester, C27H30N2O3, crystallizes with two independent molecules in the asymmetric unit whose geometrical features are similar. In each molecule, the pyrrolidine ring adopts an envelope conformation, with the fused C atom shared with the piperidine ring as the flap, and the piperidine ring adopts a chair conformation. In the crystal, C—H⋯π interactions link the inversion-related molecules and form a dimeric arrangement in the unit cell.
In the molecule of the title compound, C31H36N2O5, the piperazine ring displays a chair conformation. The dihedral angle between the benzene rings of the bis(4-methoxyphenyl)methyl group is 83.42 (15)°. In the crystal, centrosymmetrically related molecules are linked through pairs of C—H⋯O hydrogen bonds into dimers, generating an R
2(10) ring motif. The dimers are further connected into chains parallel to [2-10] by C—H⋯O hydrogen bonds involving the methoxy groups.
The asymmetric unit of the title compound, [Sb(C6H5)3(C10H9O3)2]·C6H6, contains one organometallic molecule and one benzene molecule that is disordered over two sets of sites with an occupancy ratio of 0.556 (15):0.444 (15). The SbV atom is in a distorted trigonal–bipyramidal environment with the carboxylate O atoms in axial positions and phenyl C atoms in the equatorial plane. As a result of additional Sb⋯O interactions, one of the C—Sb—C angles is widened to 140.19 (6)°.
In the title compound, C21H24N2O3, the mean planes of the benzene ring and the benzimidazole ring system form a dihedral angle of 69.94 (7)°. The ethyl group atoms of the ethanoate fragment are disordered over two sets of sites, with refined occupancies of 0.742 (6) and 0.258 (6). In the crystal, there are weak C—H⋯N hydrogen bonds which connect molecules into chains along the b axis. A weak intermolecular C—H⋯π interaction is also observed.
In the title molecule, C20H18N2O3, the pyrazole ring forms a dihedral angle of 2.2 (1)° with its methoxyphenyl substituent and a dihedral angle of 67.2 (1)° with the benzene substituent on the propenal unit. In the crystal, molecules are connected by weak C—H⋯O hydrogen bonds, forming R
2(26) and R
2(28) cyclic dimers that lie about crystallographic inversion centres. These dimers are further linked through C—H⋯O and C—H⋯N hydrogen bonds, forming C(8), C(9), C(10) and C(16) chain motifs. These primary motifs are further linked to form secondary C
2(15) chains and R
The asymmetric unit of the title compound, C25H22N2O, contains two independent molecules (A and B), with significantly different conformations. In molecule A, the central imidazole ring makes dihedral angles of 88.26 (10) and 12.74 (11)° with the two phenyl rings, and 22.06 (9)° with the benzene ring. In molecule B, one of the phenyl rings is disordered over two sites, each having an occupancy of 0.5. Here the central imidazole ring forms dihedral angles of 79.24 (10)° with the ordered phenyl ring, and 3.5 (5) and 22.6 (5)° with the two parts of the disordered phenyl ring. The dihedral angle involving the benzene ring is 67.49 (10)°. The —N—C(H2)—C(H)—C(H2) torsion angles of the prop-1-ene group in the two molecules are very similar, 0.5 (3) and 1.3 (4)° for molecules A and B, respectively. The crystal structure is stabilized by C—H⋯π interactions.
In the title molecule, C19H20N2O4·H2O, the benzimidazole ring system is essentially planar [maximum deviation = 0.013 (11) Å] and is inclined to the 4-methoxyphenyl ring by 30.98 (5)°. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds involving the water molecule link neighbouring molecules, forming a two-dimensional network lying parallel to the bc plane. There are also C—H⋯π and π–π interactions present. The latter involve inversion-related benzimidazole rings with centroid–centroid distances of 3.5552 (8) and 3.7466 (8) Å.
In the title molecule, C24H32O10, one tert-butyl ester group is folded towards the central benzene ring while the other is directed away. The acetyl group is almost perpendicular to the benzene ring to which it is connected [C—C—O—C torsion angle = 90.4 (12)°]. The conformation about the ethene bond [1.313 (7) Å] is E. The atoms of the benzene ring and its attached ester group and part of the hydroxy tert-butyl ester side chain are disordered over two sets of sites in a 50:50 ratio. Linear supramolecular chains along the a axis mediated by hydroxy–carbonyl O—H⋯O hydrogen bonds feature in the crystal packing. The same H atom also partakes in an intramolecular O—H⋯O interaction.
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C29H30N2O5, each having an E conformation about the C=C double bond. The dihedral angles between the methoxybenzene rings in the two molecules are 71.39 (17) and 68.64 (17)°. In the crystal, molecules are linked by C—H⋯O interactions.
In the title compound, C14H21N2Si+·Br−·H2O, the benzimidazole ring system is almost planar [maximum deviation = 0.021 (2) Å]. In the crystal, O—H⋯Br and C—H⋯O hydrogen bonds link the ions via the O atoms of the water molecules. In addition, there are π–π stacking interactions between the centroids of the benzene and imidazole rings of the benzimidazole ring system [centroid–centroid distances = 3.521 (3) and 3.575 (2) Å].
The title compound, C13H9N3O3, was prepared by the reaction of 5-nitrosalicylaldehyde with 1,2-diaminobenzene in methanol. The whole molecule is approximately planar, with a mean deviation from the plane defined by the non-H atoms of 0.0311 (4) Å, and with a dihedral angle between the benzene ring and the benzimidazole ring system of 1.1 (3)°. An intramolecular O—H⋯N hydrogen bond occurs. In the crystal, adjacent molecules are linked through intermolecular N—H⋯O hydrogen bonds, forming centrosymmetric dimers.