RESUMEN
The syntheses and crystal structures of 3-(2-chloro-eth-yl)-r-2,c-6-di-phenyl-piperidin-4-one, C19H20ClNO, (I), and 3-(2-chloro-eth-yl)-r-2,c-6-bis-(4-fluoro-phen-yl)piperidin-4-one, C19H18ClF2NO, (II), are described. The piperidone ring adopts a chair conformation in (I), whereas a slightly distorted chair conformation is formed in (II). The dihedral angle between the mean plane of the phenyl rings is 59.1â (1)° in (I) and 76.1â (1)° in (II). The crystal packing features weak inter-molecular N-Hâ¯O hydrogen bonds in each structure.
RESUMEN
The title compound, C17H13NO2, crystallizes with two conformationally very similar independent mol-ecules (A and B) in the asymmetric unit. In the crystal, the individual mol-ecules are linked by pairs of N-Hâ¯O hydrogen bonds forming A-A and B-B inversion dimers, with R22(10) rings. They stack alternately up the a-axis direction and are linked by C-Hâ¯π inter-actions, forming sheets parallel to the ab plane.
RESUMEN
The syntheses and crystal structure of 3-chloro-3-methyl-r-2,c-6-di-phenyl-piperidin-4-one, C18H18ClNO, (I), 3-chloro-3-methyl-r-2,c-6-di-p-tolyl-piperidin-4-one, C20H22ClNO, (II), and 3-chloro-3-methyl-r-2,c-6-bis-(4-chloro-phen-yl)piperidin-4-one, C18H16Cl3NO, (III), are described. In each structure, the piperidine ring adopts a chair conformation and dihedral angles between the mean planes of the phenyl rings are 58.4â (2), 73.5â (5) and 78.6â (2)° in (I), (II) and (III), respectively. In the crystals, mol-ecules are linked into C(6) chains by weak N-Hâ¯O hydrogen bonds and C-Hâ¯π inter-actions are also observed.
RESUMEN
In the title compound, C21H15NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -178.24â (18)°. In the mol-ecule, the planes of the terminal rings are twisted by an angle of 42.19â (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2â (1)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.56â (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 0.1â (3)°]. In the crystal, mol-ecules are linked via C-Hâ¯π inter-actions, involving the terminal benzene rings, forming corrugated layers parallel to (100).
RESUMEN
In the title compound, C22H17NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -177.7â (3)°. The planes of the terminal benzene rings are twisted by 41.62â (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02â (15)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.29â (16)°. In the crystal, mol-ecules are linked by two weak C-Hâ¯π inter-actions, forming rectangular tubes propagating along the b-axis direction.
RESUMEN
The title compound, C22H17NO4, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. Each mol-ecule exists as an E isomer with C-C=C-C torsion angles of -175.69â (17) and -178.41â (17)° in A and B, respectively. In mol-ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67â (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81â (10)°. The dihedral angle between the nitro-phenyl ring and the inner phenyl ring is 6.50â (9)°. The corresponding values in mol-ecule B are 60.61â (9), 31.07â (8) and 31.05â (9)°. In the crystal, mol-ecules are arranged in a head-to-head manner, with the 3-nitro-phenyl groups nearly parallel to one another. The A and B mol-ecules are linked to one another via C-Hâ¯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R 2 (2)(10) and R 2 (2)(12) ring motifs. The meth-oxy group in both mol-ecules is positionally disordered with a refined occupancy ratio of 0.979â (4):0.021â (4) for mol-ecule A and 0.55â (4):0.45â (4) for mol-ecule B.
RESUMEN
In the title mol-ecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The mol-ecule adopts an E conformation and the C-C=C-C torsion angle is 178.77â (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75â (8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65â (8)°. The dihedral angle between the benzene rings is 14.10â (7)°. There are three weak C-Hâ¯π inter-actions found in the crystal structure. No classic hydrogen bonds are observed.
RESUMEN
In the title compound, C26H30O2, the central benzene ring forms dihedral angles of 14.85â (15) and 28.17â (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14â (13)°. The crystal packing exhibits two strong inter-molecular O-Hâ¯O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent mol-ecules, occupying voids of ca 519â Å(3) for an electron count of 59, was treated using the SQUEEZE routine in PLATON [Spek (2009 â¶). Acta Cryst. D65, 148-155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. The structure was refined as an inversion twin [absolute structure parameter = -0.3â (4)].
RESUMEN
The title mol-ecule, C13H10N2O, is essentially planar, the maximum deviation from the plane of the non-H atoms being 0.016â (2)â Å. The imidazole ring makes a dihedral angle of 0.37â (13)° with the attached benzene ring. An intra-molecular O-Hâ¯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked through N-Hâ¯O hydrogen bonds, forming chains propagating in [001]. The crystal packing also features four π-π stacking inter-actions involving the imidazole ring, fused benzene ring and attached benzene ring system [centroid-centroid distances = 3.6106â (17), 3.6108â (17), 3.6666â (17) and 3.6668â (17)â Å].
RESUMEN
In the title compound, C23H16N2·0.5C6H6, the benzimidazole unit [maximum deviation = 0.0258â (6)â Å] and the naphthalene ring system [maximum deviation = 0.0254â (6)â Å] are both essentially planar and make a dihedral angle of 61.955â (17)°. The imidazole ring makes dihedral angle of 61.73â (4)° with the phenyl ring. An intra-molecular C-Hâ¯N hydrogen bond generates an S(6) ring motif. In the crystal, seven weak C-Hâ¯π inter-actions involving the fused ring system, the benzene solvent mol-ecule, the imidazole phenyl rings are observed, leading to a three-dimensional architecture.
RESUMEN
In the title mol-ecule, C24H20Cl2O2, the central methyl-benzene ring forms dihedral angles of 42.47â (10) and 34.34â (10)° with the terminal 4-chloro-phenyl fragments. The dihedral angle between the chloro-benzene rings is 34.45â (11)°. A weak intra-molecular C-Hâ¯O inter-action generates an S(6) ring motif. The crystal packing exhibits weak C-Hâ¯O hydrogen bonds and C-Hâ¯π inter-actions.
RESUMEN
In the title mol-ecule, C20H15N3, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1082â (15)â Å]. The pyrrole ring makes dihedral angles of 3.17â (8)/4.10â (9), 7.20â (9) and 44.62â (9)° with the fused benzene, pyrazole and phenyl rings, respectively. In the crystal, mol-ecules are linked via N-Hâ¯N hydrogen bonds, forming an infinite chain along [010]. Mol-ecules are further linked by nine π-π [centroid-centroid distances vary from 3.6864â (11) to 3.9802â (11)â Å] and one C-Hâ¯π inter-action, forming a three-dimensional network.
RESUMEN
In the title mol-ecule, C23H14N2O2, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1018â (8)â Å]. The pyrrole ring makes dihedral angles of 4.44â (5), 3.84â (5), 2.18â (5) and 56.44â (5)° with the pyran, fused benzene rings and phenyl ring, respectively. In the crystal, pairs of N-Hâ¯O hydrogen bonds generate R 2 (2)(14) loops and a C-Hâ¯N inter-action is also found. Mol-ecules are further linked by a number of π-π interactions [centroid-centroid distances vary from 3.5702â (5) to 3.7068â (6)â Å], forming a three-dimensional network.
RESUMEN
In the title mol-ecule, C19H14N2O, the benzimidazole unit is close to being planar [maximum deviation = 0.0253â (11)â Å] and forms dihedral angles of 68.98â (6) and 20.38â (7)° with the adjacent phenyl and benzene rings; the dihedral angle between the latter two planes is 64.30â (7)°. An intra-molecular O-Hâ¯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by C-Hâ¯N and C-Hâ¯O hydrogen bonds, and consolidated into a three-dimensional architecture by π-π stacking inter-actions, with a centroid-centroid distance of 3.8428â (12)â Å.
RESUMEN
In the title mol-ecule, C(18)H(15)NO(2), the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1317â (12)â Å]. The pyrrole ring makes dihedral angles of 1.01â (8) and 18.56â (10)° with the benzene and furan rings, respectively. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, pairs of N-Hâ¯O hydrogen bonds form an R(2) (2)(10) ring. Mol-ecules are further linked by C-Hâ¯O and C-Hâ¯π inter-actions, forming a three-dimensional network.
RESUMEN
The phenanthrene tricyclic ring system in the title mol-ecule, C(28)H(19)FN(2), is slightly skewed with a dihedral angle of 7.50â (6)° between the outer benzene rings. The p-tolyl and fluoro-benzene rings are twisted from the attached imidazole ring by 70.40â (7) and 28.33â (7)°, respectively. In the crystal, C-Hâ¯F hydrogen bonds link the mol-ecules into zigzag chains in [001], and weak C-Hâ¯π inter-actions further consolidate the crystal packing.
RESUMEN
In the title mol-ecule, C(24)H(20)N(2), the pyrazine ring is significantly distorted from planarity, presumably due to steric crowding, and its conformation is well described as a flattened twist-boat. The benzene ring adjacent to the ethyl group forms dihedral angles of 53.79â (13) and 85.47â (12)° with the other benzene rings; the dihedral angle between adjacent benzene rings is 57.90â (12)°. The ethyl group is disordered over two positions; the site-occupancy factor of the major component is 0.546â (4). No hydrogen bonds are found in the crystal structure.
RESUMEN
In the title mol-ecule, C(13)H(13)FN(2)OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.45â (14)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the fluorophenyl group, which has an axial orientation. N-Hâ¯O, N-Hâ¯S, C-Hâ¯F and C-Hâ¯O inter-molecular hydrogen bonds and a weak C-Hâ¯π inter-action involving the benzene ring are found in the crystal structure.
RESUMEN
In the title mol-ecule, C(16)H(20)N(2)OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98â (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intra-molecular C-Hâ¯O hydrogen bond is observed. In the crystal, molecules are linked via N-Hâ¯O, N-Hâ¯S and C-Hâ¯S hydrogen bonds.
RESUMEN
In the title mol-ecule, C(19)H(13)FN(2), the benzimidazole unit is close to planar [maximum deviation = 0.0342â (9)â Å] and forms dihedral angles of 58.94â (3) and 51.43â (3)° with the phenyl and fluoro-benzene rings, respectively; the dihedral angle between the phenyl and fluoro-benzene rings is 60.17â (6)°. In the crystal, three C-Hâ¯F hydrogen bonds and two weak C-Hâ¯π inter-actions involving the fused benzene ring lead to a three-dimensional architecture.