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1.  10a-Hy­droxy-9-(4-meth­oxy­phen­yl)-3,4,5,6,7,8a,9,10a-octa­hydro-1H-xanthene-1,8(2H)-dione 
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
2.  Diethyl 2,6-dihy­droxy-4-(3-nitro­phen­yl)-2,6-bis­(trifluoro­meth­yl)piperidine-3,5-dicarboxyl­ate 
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
3.  Diisobutyl 4-(3-eth­oxy-4-hy­droxy­phen­yl)-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
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
4.  1,1′-[4-(2,4-Dichloro­phen­yl)-2,6-di­methyl-1,4-di­hydro­pyridine-3,5-di­yl]diethanone 
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
5.  4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione 
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
6.  Ethyl 2-methyl-5-oxo-4-(3,4,5-trimeth­oxy­phen­yl)-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate 
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
7.  Dimethyl 4-(3,4-dimethoxy­phen­yl)-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
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
8.  3-Acetyl-6-chloro-2-methyl-4-phenyl­quinolinium perchlorate 
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
9.  Dimethyl 1,4-dihydro-4-(4-methoxy­phen­yl)-2,6-dimethyl­pyridine-3,5-dicarboxyl­ate 
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
10.  (E)-N-Benzyl­idene-4H-1,2,4-triazol-4-amine 
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
11.  (E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinol­yl)-3-(2-methoxy­phen­yl)prop-2-en-1-one 
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
12.  2,4,6,8-Tetra­kis(4-bromo­phen­yl)-3,7-diaza­bicyclo­[3.3.1]nonan-9-one 
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
13.  6-Chloro-3-[5-(4-fluoro­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenyl­quinoline 
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
14.  1-(6-Chloro-2-methyl-4-phenyl­quinolin-3-yl)-3-(3-methoxy­phen­yl)prop-2-en-1-one 
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
15.  7-Chloro-3,3-dimethyl-9-phenyl-1,2,3,4-tetra­hydro­acridin-1-one 
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
16.  3-Acetyl-6-chloro-2-methyl-4-phenyl­quinolinium hydrogen sulfate 
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
17.  1,1′-[4-(2-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone 
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
18.  1,1′-[4-(4-Methoxy­phen­yl)-2,6-dimethyl-1,4-dihydro­pyridine-3,5-di­yl]diethanone 
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
19.  1-(6-Chloro-2-methyl-4-phenyl-3-quinol­yl)ethanone 
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
21.  Diethyl 2,6-dimethyl-4-p-tolyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
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
22.  Dimethyl 4-(4-ethoxy­phen­yl)-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
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
23.  Diethyl 4-(4-ethoxy­phen­yl)-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
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
24.  3,3,6,6-Tetra­methyl-9-phenyl-3,4,5,6-tetra­hydro-9H-xanthene-1,8(2H,7H)-dione 
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

Results 1-24 (24)