In the title compound, C20H22O5, the tetrahydropyran, cyclohexene and cyclohexane rings of the xanthene ring system adopt half-chair, half-boat and chair conformations, respectively. The mean plane of the four roughly planar atoms of the tetrahydropyran ring (r.m.s. deviation = 0.111 Å) forms a dihedral angle of 82.91 (4)° with the methoxybenzene group. In the crystal, molecules are linked via O—H⋯O and C—H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal is further consolidated by weak C—H⋯π interactions.
doi:10.1107/S160053681203005X
PMCID: PMC3414299
PMID: 22904832
In the title compound, C19H20F6N2O8, the ethoxy and ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.212 (18):0.788 (18) and 0.746 (6):0.254 (6), respectively. The piperidine ring adopts a chair conformation. In the molecule, intramolecular O—H⋯O hydrogen bonds form two S(6) ring motifs. In the crystal, molecules are linked via O—H⋯O and C—H⋯O hydrogen bonds, forming dimers.
doi:10.1107/S1600536811055346
PMCID: PMC3275076
PMID: 22347021
The asymmetric unit of the title compound, C25H35NO6, contains two independent molecules. In each molecule, the 1,4-dihydropyridine ring adopts a flattened boat conformation. The dihedral angles between the 1,4-dihydropyridine and benzene rings are 87.55 (7) and 87.23 (7)°. In one of these molecules, one of the isobutyl groups is disordered over two sets of sites, with an occupancy ratio of 0.890 (2):0.110 (2). In the crystal, molecules are linked through N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds forming two-dimensional networks parallel to the ab plane. The crystal structure is further stabilized by weak C—H⋯π interactions.
doi:10.1107/S1600536811055334
PMCID: PMC3274982
PMID: 22346927
In the title compound, C17H17Cl2NO2, the central 1,4-dihydropyridine ring adopts a flattened-boat conformation. The ethanone substituents of the dihydropyridine ring at positions 3 and 5 have synperiplanar (cis) or antiperiplanar (trans) conformations with respect to the adjacent C=C bonds in the dihydropyridine ring. The 2,4-dichlorophenyl ring is almost planar [r.m.s. deviation = 0.0045 (1) Å] and almost perpendicular [89.27 (3)°] to the mean plane of the dihydropyridine ring. In the crystal, an N—H⋯O hydrogen bond links molecules into a zigzag chain along the ac diagonal. C—H⋯Cl contacts form centrosymmetric dimers and additional weak C—H⋯O contacts further consolidate the packing.
doi:10.1107/S1600536810052839
PMCID: PMC3051630
PMID: 21523057
In the title compound, C20H22O5, an S(6) ring motif is formed by an intramolecular C—H⋯O hydrogen bond, which contributes to the stabilization of the molecule. In the xanthene system, the cyclohexane ring adopts a chair conformation, the cyclohexene ring adopts a half-boat conformation and the tetrahydropyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetrahydropyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the methoxyphenyl group. In the crystal, intermolecular O—H⋯O and weak C—H⋯O hydrogen bonds link molecules into chains along the a axis, which are further stabilized by C—H⋯π interactions.
doi:10.1107/S1600536810050191
PMCID: PMC3050262
PMID: 21522746
In the molecular structure of the title compound, C22H27NO6, the dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. In the crystal, molecules stack parallel to the crystallographic a axis linked by intermolecular N—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810030333
PMCID: PMC3008019
PMID: 21588607
In the title compound, C19H23NO6, the 1,4-dihydropyridine ring is twisted slightly from planarity, with a maximum deviation of 0.101 (1) Å, and adopts a very flattened boat conformation. The dihedral angle formed between the plane through the four C atoms of the 1,4-dihydropyridine ring and the benzene ring is 84.67 (7)°. In the crystal structure, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network.
doi:10.1107/S160053681001679X
PMCID: PMC2979474
PMID: 21579441
In the title molecular salt, C18H15ClNO+·ClO4
−, the quinolinium ring system is approximately planar, with a maximum deviation of 0.027 (1) Å. The dihedral angle formed between the mean planes of the quinolinium ring system and the benzene ring is 78.46 (3)°. In the crystal structure, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the cations and anions into a three-dimensional network. The crystal structure is further consolidated by C—H⋯π interactions.
doi:10.1107/S1600536810012900
PMCID: PMC2979191
PMID: 21579229
In the title compound, C18H21NO5, the dihydropyridine ring adopts a flattened-boat conformation and its planar part forms a dihedral angle of 84.60 (2)° with the benzene ring. In the crystal, intermolecular N—H⋯O and C—H⋯O hydrogen bonds result in the formation of zigzag layers parallel to (001). These layers are interconnected via C—H⋯π interactions.
doi:10.1107/S1600536810004940
PMCID: PMC2983583
PMID: 21580352
The title compound, C9H8N4, crystallizes with three independent molecules (A, B and C) per asymmetric unit. The independent molecules differ slightly in their conformations, the dihedral angles between the triazole and phenyl rings in molecules A, B and C being 4.8 (2), 9.7 (2) and 7.2 (2)°, respectively. In the crystal, the independent molecules are linked into a trimer by C—H⋯N hydrogen bonds.
doi:10.1107/S1600536810003946
PMCID: PMC2983682
PMID: 21580327
In the title compound, C26H20ClNO2, the quinoline ring system and the methoxyphenyl ring form dihedral angles of 69.97 (6) and 22.10 (10)°, respectively, with the propenone linkage. The 4-phenyl ring substituent on the quinoline ring system is oriented at a dihedral angle of 66.47 (3)°. In the crystal, molecules exist as C—H⋯O hydrogen-bonded dimers. The structure is further stabilized by C—H⋯π interactions.
doi:10.1107/S1600536810000784
PMCID: PMC2979743
PMID: 21579780
In the title compound, C31H24Br4N2O, one of the bromophenyl rings is disordered over two orientations with occupancies of 0.69 (2) and 0.31 (2). The bicyclo[3.3.1]nonane ring system adopts a chair–boat conformation. In the crystal structure, molecules are linked into chains along the c axis by intermolecular C—H⋯O and N—H⋯O hydrogen bonds. Further stabilization is provided by C—H⋯π interactions.
doi:10.1107/S1600536809055226
PMCID: PMC2979866
PMID: 21579706
In the title compound, C31H23ClFN3, the pyrazole ring forms dihedral angles of 72.75 (7), 18.08 (9) and 86.26 (9)° with the quinoline ring system, the phenyl ring and the fluorophenyl ring, respectively. In the crystal, intermolecular C—H⋯N hydrogen bonds link the molecules into chains propagating along the c axis. The crystal structure is further stabilized by C—H⋯π interactions.
doi:10.1107/S1600536810000218
PMCID: PMC2979872
PMID: 21579737
In the title compound, C26H20ClNO2, the quinoline ring system is approximately planar with a maximum deviation of 0.028 (2) Å and forms a dihedral angle of 73.84 (5)° with the phenyl ring. Two neighbouring molecules are arranged into a centrosymmetric dimer through a pair of intermolecular C—H⋯Cl interactions. A pair of intermolecular C—H⋯O hydrogen bonds link two methoxyphenyl groups into another centrosymmetric dimer, generating an R
2
2(8) ring motif. The structure is further stabilized by C—H⋯π interactions.
doi:10.1107/S1600536809052179
PMCID: PMC2979994
PMID: 21580187
In the title salt, C21H18ClNO, the quinoline ring system is approximately planar [maximum deviation = 0.035 (2) Å], and forms a dihedral angle of 71.42 (6)° with the attached phenyl ring. The cyclohexanone ring exists in a half-boat conformation. In the crystal packing, C—H⋯O contacts link the molecules into extended supramolecular chains along the c axis.
doi:10.1107/S1600536809050326
PMCID: PMC2971845
PMID: 21578941
In the title salt, C18H15ClNO+·HSO4
−, the quinolinium ring system is approximately planar, with a maximum deviation of 0.028 (2) Å, and forms a dihedral angle of 78.43 (4)° with the attached phenyl ring. A pair of intermolecular O—H⋯O hydrogen bonds links two hydrogen sulfate anions into a dimer, generating a R
2
2(8) ring motif. Intermolecular N—H⋯O hydrogen bonds and C—H⋯O contacts link the ions into a three-dimensional network. The structure is further stabilized by C—H⋯π interactions
doi:10.1107/S1600536809048934
PMCID: PMC2971847
PMID: 21578864
In the title compound, C18H21NO3, the 1,4-dihydropyridine ring exhibits a flattened boat conformation. The methoxyphenyl ring is nearly planar [r.m.s. deviation = 0.0723 (1) Å] and is perpendicular to the base of the boat [dihedral angle = 88.98 (4)°]. Intermolecular N—H⋯O and C—H⋯O hydrogen bonds exist in the crystal structure.
doi:10.1107/S1600536809042895
PMCID: PMC2971406
PMID: 21578463
In the title compound, C18H21NO3, which belongs to the family of calcium channel blockers, the dihydropyridine ring assumes a flattened boat conformation. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the dihydropyridine ring. The methoxyphenyl ring is almost perpendicular to the prydine ring [dihedral angle = 89.01 (7)°]. In the crystal, the molecules are connected by intermolecular N—H⋯O hydrogen bonds.
doi:10.1107/S1600536809041592
PMCID: PMC2971090
PMID: 21578387
In the title compound, C18H14ClNO, the quinoline ring system is approximately planar with a maximum devation of 0.022 (1) Å and forms a dihedral angle of 62.70 (3)° with the phenyl ring. In the crystal, pairs of C—H⋯O intermolecular hydrogen bonds link neighbouring molecules into inversion dimers, forming R
2
2(14) ring motifs. These inversion dimers are stacked along the b axis. The structure is further stabilized by C—H⋯π interactions.
doi:10.1107/S1600536809040306
PMCID: PMC2971397
PMID: 21578294
20.
Diammonium 1,1′,3,3′-tetramethyl-2,2′,4,4′,6,6′-hexaoxoperhydro-5,5′-bipyrimidine-5,5′-diide monohydrate
In the title hydrated salt, 2NH4
+·C12H12N4O6
2−·H2O, the two hexahydropyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76 (5)°. In the crystal structure, the anions and water molecules are linked into sheets parallel to the bc plane by intermolecular O—H⋯O hydrogen bonds and sustained by C—H⋯O contacts. The linking of the anions and water molecules with the cations by N—H⋯O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C—H⋯π interactions.
doi:10.1107/S1600536809039968
PMCID: PMC2971361
PMID: 21578268
In the title compound, C20H25NO4, the 1,4-dihydropyridine ring adopts a flattened-boat conformation and forms a dihedral angle of 89.77 (8)° with the benzene ring. Intermolecular N—H⋯O hydrogen bonds result in the formation of extended chains parallel to the b axis.
doi:10.1107/S1600536809035077
PMCID: PMC2970188
PMID: 21577813
In the title molecule, C19H23NO5, the dihedral angle formed by the benzene ring and the planar part of the dihydropyridine ring is 83.52 (5)°. The dihydropyridine ring adopts a flattened boat conformation. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, generating chains running parallel to [100]. The crystal structure is consolidated by C—H⋯O contacts.
doi:10.1107/S1600536809033364
PMCID: PMC2969859
PMID: 21577652
In the title compound, C21H27NO5, the dihydropyridine ring adopts a boat conformation. The ethoxyphenyl ring is oriented approximately perpendicular to the planar part of the dihydropyridine ring, making a dihedral angle of 89.45 (6)°. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, neighbouring molecules are linked into chains along the a axis by N—H⋯O hydrogen bonds and the chains are interconnected into two-dimensional networks parallel to the ab plane by C—H⋯O hydrogen bonds. The structure is further stabilized by weak C—H⋯π interactions.
doi:10.1107/S160053680903339X
PMCID: PMC2969936
PMID: 21577645
In the title compound, C23H26O3, the three six-membered rings of the xanthene system are non-planar, having total puckering amplitudes, Q
T, of 0.443 (2), 0.202 (2) and 0.449 (2) Å. The central ring adopts a boat conformation and the outer rings adopt sofa conformations. The crystal structure is stabilized by van der Waals interactions.
doi:10.1107/S1600536809010526
PMCID: PMC2969019
PMID: 21582618