In the title compound, C20H15ClFNO, the dihedral angles between the mean planes of the acetamide group and the chlorofluoro-substituted benzene ring and the two phenyl rings are 10.8 (8), 81.9 (7) and 85.8 (5)°, respectively. The crystal packing is stabilized by N—H⋯O hydrogen bonds and weak C—H⋯O intermolecular interactions, forming infinite chains along the c axis.
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3, consists of two molecules (A and B) of the triangulo-triruthenium complex and one molecule of chloroform solvent. The bis(diphenylarsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphine-substituted benzene rings make dihedral angles of 73.5 (3), 57.2 (3) and 75.7 (3)° with each other in molecule A, while these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in molecule B. The dihedral angles between the two benzene rings are 87.3 (3) and 89.6 (3)° for the two diphenylarsino groups in molecule A and 85.6 (3) and 87.7 (3)° in molecule B. In the crystal packing, the molecules are linked into a three-dimensional framework via intermolecular C—H⋯O and C—H⋯Cl hydrogen bonds. Weak intermolecular C—H⋯π interactions furture stabilize the crystal structure. The crystal studied was an inversion twin, the refined ratio of twin components being 0.480 (7):0.520 (7).
In the title compound, C15H10Cl3NO2, an intramolecular N—H⋯O hydrogen bond forms a six-membered ring and enforces an almost coplanar conformation for the acetamido group, the central benzene ring and the bridging carbonyl C—C(=O)—C group: the dihedral angles between the benzene ring and the acetamide and carbonyl C—C(=O)—C planes are 7.06 (11) and 7.17 (12)°, respectively. The dihedral angle between the two benzene rings is 67.43 (9)°. Because a strong hydrogen-bond donor is involved in the intramolecular interaction, the crystal packing is determined by weak C—H⋯O and C—H⋯Cl interactions.
In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38 (9) and 55.32 (9)° with the terminal benzene rings. The molecule adopts a trans–cis conformation with respect to the orientations of the diphenylmethane and 1,3-diethylbenzene groups with respect to the S atom across the C—N bonds. This conformation is stabilized by an intramolecular N—H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N—H⋯S hydrogen bonds link the molecules into inversion dimers, forming R
2(6) loops. The dimer linkage is reinforced by a pair of C—H⋯S hydrogen bonds, which generate R
2(8) loops. Weak C—H⋯π and π–π [centroid–centroid seperation = 3.8821 (10) Å] interactions also occur in the crystal structure.
The asymmetric unit of the title compound, C22H21NO, consists of two crystallographically independent molecules (A and B). Each molecule contains two benzene rings and one dimethylbenzene ring. The dihedral angle between the two benzene rings is 87.75 (16)° in molecule A and 89.25 (16)° in molecule B. In molecule A, the dimethylbenzene ring forms dihedral angles of 89.65 (8) and 42.98 (11)° with the two benzene rings, whereas the corresponding angles are equal to 63.15 (7) and 58.67 (10)° in molecule B. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif in each molecule. In the crystal, molecules are linked by bifurcated (N,C)—H⋯O hydrogen bonds, generating R
1(6) ring motifs and forming infinite chains along the a axis. The crystal is further stabilized by C—H⋯π and π–π interactions with centroid–centroid distances of 3.8543 (18) and 3.930 (2) Å.
In the title molecule, C23H22N2OS, the diphenylacetyl and ethylbenzene groups adopt a trans–cis conformation, respectively, with respect to the S atom across the (S=)C—N bonds. This conformation is stabilized by an intramolecular N—H⋯O hydrogen bond and a weak C—H⋯S hydrogen bond. The ethyl-substituted benzene ring forms dihedral angles of 87.53 (15) and 73.94 (15)° with the phenyl rings. In the crystal, N—H⋯O hydrogen bonds link molecules into chains along . A weak C—H⋯π interaction is also observed.
In the title molecule, C24H21ClN4OS2, the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9), 86.66 (9) and 82.70 (10)° with the chloro-substituted benzene ring, the methylsulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, molecules are linked into sheets parallel to (100) by intermolecular N—H⋯N and weak C—H⋯O hydrogen bonds.
The title compound, C8H7ClN2O2, is an intermediate in the synthesis of 5-chloroisatin, which can be further transformed to 5-chloro-2-indolinone via a Wolff–Kishne reduction. The C2N acetamide plane forms a dihedral angle of 6.3 (3)° with the benzene ring. An intramolecular C—H⋯O interaction results in the formation of a six-membered ring. In the crystal, intermolecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds link the molecules into multimers, forming sheets.
The title compound, C15H10Cl2O, is a chalcone with 3-chlorophenyl and 4-chlorophenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The dihedral angle between mean planes of these two chloro-substituted benzene rings is 46.7 (7)° compared to 46.0 (1) and 32.4 (1)° in similar published sructures. The angles between the mean plane of the prop-2-en-1-one group and the mean planes of the 3-chlorophenyl and 4-chlorophenyl rings are 24.1 (2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak intermolecular C—H⋯π-ring interactions are observed, which contribute to the stability of crystal packing.
In the title compound, C20H15F2NO, the mean plane of the acetamide group makes dihedral angles of 88.26 (6), 78.30 (7) and 9.83 (6)° with the two terminal benzene rings and difluoro-substituted benzene ring, respectively. One F atom is disordered over two orientations rotated by 180°, with a site-occupancy ratio of 0.557 (2):0.443 (2). An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked via N—H⋯O hydrogen bonds into chains along the c axis. The crystal structure is further consolidated by C—H⋯π interactions.
In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazin unit and methoxybenzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chlorophenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H⋯O and C—H⋯N interactions and the crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds.
In the title compound, C17H13ClN2O2·H2O, the dihedral angle between the quinoline ring system and the benzene ring is 13.0 (1)°. An intramolecular N—H⋯O hydrogen bond may influence the molecular conformation. In the crystal structure, acetamide molecules are linked to water molecules via intermolecular O—H⋯ N and N—H⋯O hydrogen bonds and in turn linked into chains along  via O—H⋯O hydrogen bonds.
The asymmetric unit of the title compound, C8H8ClNO3S, consists of two crystallographically independent molecules (A and B). The dihedral angles between the benzene ring and amide C—C(=O)—NH– plane are 87.6 (3) (molecule A) and 86.0 (3)° (molecule B). In the crystal, the independent molecules are alternately linked by N—H⋯O hydrogen bonds into an infinite chain along the b axis. Short intermolecular Cl⋯Cl contacts [3.2882 (5) and 3.2812 (5) Å] are also observed.
In the title compound, C32H26Cl2N2O3, the piperidone ring adopts a chair conformation and the proline and pyrrolidine rings adopt envelope conformations. The indane ring system is essentially planar with an r.m.s. deviation of 0.011 Å for the non-H atoms. The dihedral angle between the two chloro-substituted benzene rings is 63.69 (10)°. Intramolecular C—H⋯O and N—H⋯O hydrogen bonds may influence the molecular conformation. In the crystal structure, molecules are connected into layers by weak intermolecular C—H⋯O hydrogen bonds.
In the title compound, C14H13NO, which has two molecules in the asymmetric unit, the dihedral angles between the mean planes of the benzene rings are 84.6 (7) and 85.0 (6)°. N—H⋯O hydrogen bonds [forming R
2(8) ring motifs] and C—H⋯O hydrogen bonds dominate the crystal packing, forming zigzag chains parallel to the a axis. In addition, weak intermolecular C—H⋯π interactions are observed.
The title compound, C15H10Cl2O, adopts an E configuration with respect to the C=C bond of the propenone unit. The dihedral angle between the two benzene rings is 32.4 (1)°. Intramolecular C—H⋯O and C—H⋯Cl hydrogen bonds generate an S(5)S(5)S(5) motif. In addition, the crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds.
In the title compound, C14H14ClN3OS, the 4,6-dimethylpyrimidine ring and the chlorobenzene ring subtend a dihedral angle of 80.0 (2)°. The length of the Csp
2—S bond is significantly shorter than that of the Csp
3—S bond. The crystal structure is stabilized by intermolecular N—H⋯O, C—H⋯O and C—H⋯N hydrogen bonding, and C—H⋯π interactions.
In the title resonance conformer, C15H12ClNO4, the central C–N bond [1.297 (2) Å] has considerable double-bond character and the N–O bond [1.3215 (18) Å] indicates formal negative charge on the oxygen atom. Considerable deviations from co-planarity are evident in the molecule, with both benzene rings twisted out of the central C–C–N–C plane [the dihedral angle formed between the rings = 81.99 (8)°]. Similarly, the carboxylic acid residue occupies a position almost normal to the plane of the benzene ring to which it is connected [C—C—O—C torsion angle = −78.42 (17)°]. The most prominent intermolecular interactions involve the carboxylic acid the N+–O− residues with the O—H⋯O hydrogen bonds leading to helical supramolecular chains along the b axis. These chains are connected into layers via C–H⋯Ocarbonyl interactions and the layers are consolidated into the crystal structure by C–H⋯Cl contacts.
In the title molecule, C15H11Br2ClO2, an S(6) ring motif is formed via an intramolecular O—H⋯O hydrogen bond. The dihedral angle formed between the chloro- and hydroxy-substituted benzene rings is 34.10 (15)°. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains along the c axis.
The asymmetric unit of the title compound, C21H25ClN2O, contains four crystallographically independent molecules, which differ mainly in the orientation of the isobutyl groups. The benzene rings are almost orthogonal to each other, forming dihedral angles of 87.40 (6), 88.69 (6), 84.88 (6) and 85.12 (6)° in the four molecules. The crystal structure is stabilized by intermolecular N—H⋯O and C—H⋯O hydrogen bonds, together with C—H⋯π interactions.
In the title compound, C24H19ClN2O3S, the sulfonyl-bound benzene ring forms dihedral angles of 38.1 (2) and 81.2 (1)°, respectively, with the formyl benzene and benzene rings. The molecular conformation is stabilized by a weak intramolecular C—H⋯O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C—H⋯O hydrogen bonds, which generate C(7) zigzag chains along  and R
3(19) ring motifs along . The crystal packing is further stabilized by C—Cl⋯π interactions [Cl⋯centroid = 3.456 (2) Å and C—Cl⋯centroid = 173.4 (2)°].
In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming inversion dimers, which are linked by a further N—H⋯O hydrogen bond, forming chains along . There are intra- and intermolecular C—H⋯π interactions present, the latter linking the chains to form a three-dimensional supramolecular structure.
In the title compound, C27H21ClN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.021 and 0.024 Å) are approximately perpendicular to one another, with a dihedral angle of 79.54 (12)°. The benzene ring is twisted with respect to the mean planes of the two indole ring systems at angles of 80.14 (15) and 86.30 (15)°. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming inversion dimers with an R
2(18) ring motif. The dimers are linked by a further N—H⋯O hydrogen bond, forming chains along . There are intra- and intermolecular C—H⋯π interactions present, the latter linking the chains to form a three-dimensional supramolecular structure.
crystal structure; indole; bis-indolymethane; MRI contrast agent; N—H⋯O hydrogen bonds; C—H⋯π interactions
In the title compound, C15H10ClNO4S, the benzothiazole ring system is essentially planar [maximum deviation = 0.0382 (13) Å for the N atom] and forms a dihedral angle of 74.43 (6)° with the chloro-substituted benzene ring. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds form R
2(10) and R
2(16) ring motifs
The asymmetric unit of the title compound, C15H10ClNO4S, contains two independent conformers wherein the 2-chlorophenyl group in one is rotated by approximately 180° compared to the other molecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158.7 (2)° in one molecule and −104.3 (2) and −173.4 (2)° in the other. The benzisothiazole ring systems in the two molecules are essentially planar (r.m.s. deviations = 0.017 and 0.010 Å) and form dihedral angles of 73.53 (7) and 73.26 (6)° with the benzene rings. In the crystal, there are weak π–π interactions between the benzene rings of the benzisothiazole groups and symmetry-related chlorobenzene rings with centroid–centroid distances of 3.6178 (13) and 3.6267 (15) Å. In addition, pairs of weak intermolecular C—H⋯O hydrogen bonds form inversion dimers which are connected by further C—H⋯O hydrogen bonds into a three-dimensional network.
The asymmetric unit of the title compound, C29H29ClO11, contains two independent molecules of similar geometry, both adopting an E conformation about the C=C double bond. The dihedral angles formed by benzene rings are 10.73 (16) and 13.79 (18)°. The pyranoside rings adopt a chair conformation. Intramolecular C—H⋯O close contacts occur. The crystal packing is stabilized by intermolecular C—H⋯O hydrogen bonds.