The title compound, C27H28N2O, is a lophine (2,4,5-triphenyl-1H-imidazole) derivative with an n-pentyl chain on the amine N atom and a 4-methoxy substituent on the benzene ring. The two phenyl and methoxybenzene rings are inclined to the imidazole ring at angles of 25.32 (7), 76.79 (5) and 35.42 (7)°, respectively, while the methoxy substituent lies close to the plane of its benzene ring, with a maximum deviation of 0.126 (3) Å for the methoxy C atom. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R
2(22) loops. These dimers are stacked along the a-axis direction.
In the title compound C10H11N3O, the mean plane of the indole ring system (r.m.s. deviation 0.0131 Å) subtends a dihedral angle of 87.27 (5)° to the almost planar acetohydrazide substituent (r.m.s. deviation 0.0291 Å). In the crystal, bifurcated N—H⋯(O,N) and N—H⋯N hydrogen bonds involving the pyrrole N–H grouping combine to form zigzag chains along a. Additional N—H⋯O contacts from the hydrazide N–H group augmented by C—H⋯π interactions link the molecules into chains along the a axis. The overall effect of these contacts is a three-dimensional network structure with molecules stacked along the b-axis direction.
In the title compound C11H17NO4S, an intramolecular O—H⋯O hydrogen bond forms an S(8) ring and determines the conformation of the bis(2-hydroxyethyl) segment of the molecule, holding the two CH2CH2OH groups close to coplanar (r.m.s. deviation = 0.185 Å). In the crystal, O—H⋯O hydrogen bonds link the molecules into zigzag chains along the b axis. Weaker additional C—H⋯O and C—H⋯π contacts generate a three dimensional network, with molecules stacked along the b-axis direction.
In the title compound, C11H12N2O2S, the thiazole and phenyl rings are inclined at 56.99 (6)° to one another. The thiazole ring is planar with an r.m.s. deviation for the five ring atoms of 0.0274 Å. The presence of the phenylimine substituent is confirmed with the C=N distance to the thiazole ring of 1.2638 (19) Å. The molecule adopts a Z conformation with respect to this bond. The –OH group of the hydroxyethyl substituent is disordered over two positions with relative occupancies 0.517 (4) and 0.483 (4). In the crystal, O—H⋯O hydrogen bonds, augmented by C—H⋯N contacts, form dimers with R
2(11) rings and generate chains along the b axis. Parallel chains are linked in an obverse fashion by weak C—H⋯S hydrogen bonds. C—H⋯O hydrogen bonds together with C—H⋯π contacts further consolidate the structure, stacking molecules along the b axis.
The title compound, C11H12O3, is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the molecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyranone ring adopts a flattened chair conformation. In the crystal, O—H⋯O hydrogen bonds and C—H⋯O contacts form R
2(6) rings and link molecules into chains along b. Additional C—H⋯O contacts generate inversion dimers, with R
2(8) ring motifs, and form sheets parallel to (-102) which are linked by C—H⋯π interactions.
The title molecule, C14H14O4, lies on a twofold rotation axis that bisects the central benzene ring, with only one half-molecule in the asymmetric unit. The pyranone systems adopt distorted twist- boat conformations, with the two methylene C atoms displaced by 0.537 (1) and 0.163 (2) Å from the best-fit plane through the remaining five C and O atoms (r.m.s. deviation = 0.073 Å). In the crystal, bifurcated C—H⋯(O,O) hydrogen bonds link pairs of adjacent molecules in an obverse fashion, stacking molecules along c. These contacts are further stabilized by very weak π–π interactions between adjacent benzene rings with centroid–centroid distances of 4.1951 (4) Å. Additional C—H⋯O contacts link these stacks, giving a three-dimensional network.
The title compound, C7H6OS, crystallizes with two similar molecules, 1 and 2, in the asymmetric unit. Both molecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 Å for the planes through the nine non-H atoms of molecules 1 and 2, respectively. The thiophene and 4,5-dihydrocyclopentadienone rings are inclined at 2.40 (13)° in 1 and 0.64 (13)° in 2. In the crystal structure π–π [3.6542 (17) Å] and C—H⋯π contacts stack the molecules into columns in an inverse fashion along the b axis. An extensive series of C—H⋯O hydrogen bonds links the columns, generating an extended network structure.
The title compound, C15H24N2O2, crystallizes with two unique molecules, (I) and (II), in the asymmetric unit, differing in the orientation of the acryloyl units with respect to the piperidine rings. The acrylamide units are essentially planar in both molecules (r.m.s. deviations = 0.042 and 0.024 Å, respectively), as are the C3N chains of the acryloyl units. The carbonyl O atoms of the acryloyl systems lie significantly out of these planes, viz. by −0.171 (9) Å for molecule (I) and by 0.33 (1) Å for molecule (II). The acrylamide and acryloyl planes are inclined at 68.7 (4)° and 59.8 (3)° in the two molecules. The piperidine rings each adopt twist boat conformations. In the crystal, strong N—H⋯O hydrogen bonds link the molecules into zigzag C(4) chains along b. Additional C—H⋯O contacts result in the formation of stacks along a.
In the title molecule, C16H14O4S, the dihydrocyclopentathiophenone ring system is almost planar, with an r.m.s. deviation of 0.060 Å from the best fit plane through all nine non-H atoms. The cyclopentanone ring adopts a severely flattened envelope conformation with the C atom carrying the OH and ethylcarboxylate substituents at the flap. This atom lies only 0.185 (3) Å from the plane through the other four C atoms. The phenyl substituent is inclined at 43.37 (5)° to the dihydrocyclopentathiophenone mean plane. In the crystal, molecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers with R
2(10) ring motifs. Weak C—H⋯O hydrogen bonds also link molecules into chains along c, while an approximately orthogonal set of C—H⋯O contacts form chains along b, resulting in layers lying parallel to (100). Inversion dimers also form through weaker R
2(12) C—H⋯S contacts, which combine with C—H⋯O contacts to form stacks along b.
The title compound, C17H15N3OS, crystallizes with two unique molecules, denoted 1 and 2, in the asymmetric unit. The two molecules are closely similar and overlay with an r.m.s. deviation of 0.053 Å. Both molecules adopt E configurations with respect to the C=N bonds. The dihedral angles between the benzothiophene groups and N-bound phenyl rings are 36.36 (9)° for molecule 1 and 29.71 (9)° for molecule 2. The C=N—NH—C(O)NH ethylidene–hydrazinecarboxamide units are also reasonably planar, with r.m.s. deviations of 0.061 and 0.056 Å, respectively, for the two molecules. The methyl substituents lie 0.338 (3) and 0.396 (3) Å, respectively, from these planes. The C=N—NH—C(O)NH planes are inclined to the phenyl rings at 13.65 (11) and 15.56 (11)°, respectively, in molecules 1 and 2. This conformation is enhanced by weak intramolecular C—H⋯O hydrogen bonds between ortho-H atoms of the two phenyl rings and the carbonyl O atoms, which generate S(6) rings in each molecule. In the crystal, pairs of molecules are linked by pairs of intermolecular N—H⋯O hydrogen bonds into dimers. Alternating dimers are further interconnected by weak C—H⋯O contacts into zigzag rows along b. The rows are stacked along a by C—H⋯π contacts involving the benzene ring from molecule 2 and the thiophene ring from molecule 1 of adjacent benzothiophene units.
In the title molecule, C11H11ClO3, the fused pyran ring adopts a half-chair conformation. In the crystal, intermolecular O—H⋯O hydrogen bonds link molecules into chains along . These chains are interconnected by weak intermolecular C—H⋯O contacts which generate R
2(8) ring motifs, forming sheets parallel to (001). Tetragonal symmetry generates an equivalent motif along b. Furthermore, the sheets are linked along the c axis by offset π–π stacking interactions involving the benzene rings of adjacent molecules [with centroid–centroid distances of 3.839 (2) Å], together with an additional weak C—H⋯O hydrogen bond, resulting in an overall three-dimensional network.
The title compound, C12H14O3, consists of a chromanone unit with an –OH substituent at the 4-position and methyl substituents on the remaining C atoms of the aromatic ring. The fused pyranone ring adopts a distorted envelope conformation with the methylene group adjacent to the carbonyl carbon as the flap atom. The crystal structure is stabilized by classical O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯π interactions, generating a three-dimensional network.
In the title compound, [Co(C13H9)(C28H20)], the Co atom is sandwiched between cyclopentadienyl and cyclobutadienyl rings that are inclined at a dihedral angle of 2.6 (3)°. The four phenyl rings are tilted with respect to the cyclobutadienyl plane so that the C4Ph4 unit constitutes a four-bladed propeller. The phenyl ring of the phenyl-alkyne substituent is inclined to the cyclopentadienyl ring at an angle of 34.92 (18)°. The crystal structure is stabilized solely by C—H⋯π interactions which generate a three-dimensional network.
In the title compound, C14H12ClNO2, the chloro- and methoxy-substituted benzene rings are close to orthogonal [dihedral angle = 79.20 (3)°]. These rings also make angles of 45.9 (3) and 33.5 (3)° with the amide –CONH– unit. The methoxy substituent lies close to the methoxybenzene ring plane, with a maximum deviation of 0.142 (3) Å for the methyl C atom. The N—H bond is anti to the 2-chloro substituent of the aniline ring. In the crystal structure, intermolecular N—H⋯O hydrogen bonds form C(4) chains augmented by a weak C—H⋯O interaction involving an ortho H atom of the methoxy benzene ring that generates an R
1(6) motif. The chains stack the molecules into columns down the b axis. Adjacent columns are linked by additional C—H⋯O and C—H⋯π contacts, generating a three-dimensional network.
The title compound, C13H10ClNO, (I), is a polymorph of the structure, (II), first reported by Gowda et al. [Acta Cryst. (2008), E64, o462]. In the original report, the compound crystallized in the orthorhombic space group Pbca (Z = 8), whereas the structure reported here is monoclinic P21/c (Z = 4). The principal difference between the two forms lies in the relative orientations of the phenyl and benzene rings [dihedral angle = 8.90 (13)° for (I) and 61.0 (1)° for (II)]. The inclination of the amide –CONH– units to the benzoyl ring is more similar [15.8 (7)° for (I) and 18.2 (2)° for (II)]. In both forms, the N—H bonds are anti to the 3-chloro substituents of the aniline rings. In the crystal, intermolecular N—H⋯O hydrogen bonds form C(4) chains along c. These chains are bolstered by weak C—H⋯O interactions that generate R
1(6) and R
1(7) ring motifs.
In the title compound, C21H20N2O3, the naphthalimide unit is almost planar (r.m.s. deviation for the 15 non-H atoms = 0.059 Å). The carboximide N atom and the five C atoms of the 2-methylprop-2-enoyl substituent also lie in a plane (r.m.s. deviation = 0.009 Å), which subtends an angle of 84.34 (7)° to the naphthalamide plane. This orients the =CH2 group of the vinyl fragment towards the naphthalimide rings, giving the molecule an extended configuration. The piperidine ring adopts a chair conformation and there is evidence for some delocalization between the naphthalene and piperidine units, the C—Npip bond length being 1.404 (4) Å. In the crystal structure, π–π contacts with centroid–centroid distances of 3.5351 (18) and 3.7794 (18) Å supported by C—H⋯O hydrogen bonds link adjacent molecules in a head-to-tail fashion, forming dimers. These are further stabilized by other C—H⋯O contacts of varying strength, which stack the molecules down the b axis.
In the title compound, C9H8Br2O2, the molecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxylate substituent. In the crystal structure, weak C—H⋯Br hydrogen bonds and weak intermolecular O⋯Br contacts [3.095 (2) Å], link adjacent molecules into layers parallel to (102). Additional weak intermolecular C—H⋯O hydrogen bond interactions stack the layers above and below the molecular plane and down the a axis.
The title compound, C15H15NO, (I), is a polymorph of the structure (II) reported by Gowda et al. [Acta Cryst. (2008), E64, o1494]. Compound (II) crystalllizes in the space group C2/c (Z = 8), whereas the title compound occurs in space group P21/c (Z = 4). The two molecular structures differ slightly in the relative orientations of their central amide group with respect to the benzoyl ring [dihedral angles of 55.99 (7) for (I) and 59.96 (11)° for (II)] and in the inclination of the benzoyl and aniline rings [88.67 (8) for (I) and 81.44 (5)° for (II)]. In the crystal structure of (I), molecules are linked by N—H⋯O hydrogen bonds, forming C(4) chains, which are augmented by weak C—H⋯O interactions. The structure is further stabilized by C—H⋯π contacts involving both of the aromatic rings.
The title compound, C15H12FNO, was prepared by the reaction of cinnamoyl chloride with 4-fluoroaniline and crystallizes with two molecules A and B in the asymmetric unit. The two unique molecules are closely similar and overlay with an r.m.s. deviation of 0.0819 Å. The fluorobenzene and phenyl rings are inclined to one another at 73.89 (7) and 79.46 (7)°, respectively, in molecules A and B. The amide C—N—C(O)—C portions of the molecules are planar (r.m.s. deviations = 0.035 and 0.028 Å) and are inclined at 45.51 (9) and 47.71 (9), respectively, to the fluorobenzene rings in molecules A and B. The 2-fluoroacetamide units and the benzene rings each adopt E configurations with respect to the C=C bonds. In the crystal structure, intermolecular N—H⋯O hydrogen bonds augmented by weak C—H⋯π interactions link molecules into rows in a head-to-tail fashion along a. Additional weak C—H⋯O contacts further stabilize the packing, forming a three-dimensional network stacked down a.
The title compound, C14H12ClNO2, was prepared by refluxing 4-chlorobenzoyl chloride with o-anisidine in CHCl3. The methoxyphenyl–amide segment of the molecule is almost planar, with a dihedral angle of 5.10 (7)° between the benzene ring and the C—N—C(O)—C fragment. A weak intramolecular N—H⋯O contact forms an S(5) ring and contributes to the planarity of this portion of the molecule. The two benzene rings are inclined at an angle of 26.74 (7)°. In the crystal structure, intermolecular Cl⋯O interactions of 3.1874 (9) Å generate centrosymmetric dimers. These are further linked by C—H⋯O and C—H⋯π interactions, forming inversion related sheets parallel to .
The title compound, C15H23NO2S, contains cyclohexyl and ethyl substituents on the sulfonamide N atom and the cyclohexyl ring adopts a classic chair conformation. The dihedral angle between the benzene ring plane and the mean plane through the six atoms of the cyclohexyl ring is 59.92 (6)°. In the crystal structure, C—H⋯O hydrogen bonds link molecules into sheets extending in the bc plane.
In the title compound, C15H15NO, the C—N—C(O)—C amide unit is planar (r.m.s. deviation = 0.003 Å) and subtends dihedral angles of 44.71 (5) and 43.33 (5)° with the two o-tolyl rings. These aromatic rings are inclined at 4.94 (7)° to one another. The ortho-methyl groups of the two tolyl rings are anti to one another. In the crystal structure, N—H⋯O hydrogen bonds augmented by C—H⋯π interactions link the molecules in a head-to-head fashion into chains along a. Independent chains pack in a herringbone pattern along c.
In the title compound, C20H21N2O2S+·NO3
−, the dihedral angle between the pyridinium and phenyl rings is 81.77 (19)°, that between the pyridinium and tolyl rings is 1.36 (18)°, and that between the phenyl and tolyl rings is 82.69 (19)°. In the crystal, the components are linked by strong charge-assisted bifurcated N+—H⋯(O,O) hydrogen bonds and the packing is consolidated by numerous weak C—H⋯O bonds and π–π stacking interactions [for the latter, centroid–centroid separation = 3.868 (2) Å].
In the title compound, C14H11Cl2NO, the C—N—C(=O)—C amide unit is almost planar (r.m.s. deviation = 0.0317 Å) and subtends dihedral angles of 65.93 (6) and 29.45 (7)°, respectively, to the dichlorobenzene and tolyl rings. The two aromatic rings are inclined at 37.92 (6)° to one another. In the crystal structure, N—H⋯O hydrogen bonds link the molecules into chains along b. Additional weak C—H⋯Cl and C—H⋯O hydrogen bonds combine with C—H⋯π and very weak π–π contacts [Cg⋯Cg distance = 4.0217 (12) Å] to stack the molecules down b.