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1.  Bis(1,10-phenanthrolin-1-ium) tetra­chlorido­zincate monohydrate 
In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol­ecule and the tetrahedral tetrachloridozincate anion via N—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonds, forming chains along [100]. The chains are linked via C—H⋯Cl hydrogen bonds and a number of π–π inter­actions [centroid–centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N—H⋯N inter­action.
doi:10.1107/S1600536814000208
PMCID: PMC3998259  PMID: 24764820
2.  (4S)-3-Methyl-5,6,7,8-tetra­hydro-4H-spiro­[[1,2]oxazolo[5,4-b]quinoline-4,3′-indole]-2′,5-dione 
In the title compound, C18H15N3O3, the dihedral angle between the mean planes of the quinoline and indole ring systems [r.m.s. deviations = 0.189 (2) and 0.027 (2) Å, respectively] is 88.65 (5)°. The cyclo­hexene ring of the quinoline ring system adopts an envelope conformation with the central –CH2– C atom as the flap. In the crystal, mol­ecules are linked by two pairs of N—H⋯O hydrogen bonds, forming inversion dimers, and enclosing R 2 2(14) ring motifs. This arrangement results in the formation of chains propagating along [100].
doi:10.1107/S1600536814000130
PMCID: PMC3998324  PMID: 24764885
3.  (4S)-5′-Chloro-3,7,7-trimethyl-5,6,7,8-tetra­hydro-4H-spiro­[1,2-oxazolo[5,4-b]quinoline-4,3′-indole]-2′,5-dione 
In the title compound, C20H18ClN3O3, the five- and six-membered heterocycles fused through a spiro C atom are inclined to each other at an angle of 87.4 (1)°. In the tricyclic ring system, the cyclo­hexene ring adopts an envelope conformation with the spiro atom as the flap. In the crystal, two sets of N—H⋯O hydrogen bonds link the mol­ecules into columns containing centrosymmetric R 2 2(7) ring motifs and propagating along the b-axis direction.
doi:10.1107/S1600536814000191
PMCID: PMC3998327  PMID: 24764888
4.  Di­aqua­dichlorido­bis­(pyridine-κN)cobalt(II) 
The title mol­ecule, [CoCl2(C5H5N)2(H2O)2], has -1 symmetry with the CoII ion situated on an inversion centre. The cation has a distorted octa­hedral coordination environment and is surrounded by two N and two Cl atoms in the equatorial plane, while the coordinating water O atoms occupy the axial positions. The crystal exhibits nonmerohedral twinning with two domain states, the volume fractions of which were refined to 0.883 (2) and 0.117 (3). The crystal packing is stabilized by O—H⋯Cl hydrogen-bond inter­actions, forming two-dimensional networks lying parallel to (001). The crystal packing also features π–π inter­actions between the pyridine rings, with centroid–centroid separations of 3.493 (3) and 3.545 (3) Å.
doi:10.1107/S1600536813022484
PMCID: PMC3884431  PMID: 24427001
5.  cis-Di­aqua­tetra­kis­(1-butyl-1H-imidazole-κN 3)nickel(II) dichloride 
In the title compound, [Ni(C7H12N2)4(H2O)2]Cl2, the nickel(II) ion has a distorted octa­hedral coordination environment. It is surrounded by three N atoms and one O atom occupying the equatorial plane, and one N and one O atom in the axial positions. The imidazole ring systems are inclined to one another with dihedral angles varying between 38.3 (4) and 74.1 (4)°. In the crystal, mol­ecules are linked via O—H⋯Cl hydrogen bonds involving one Cl− anion and the water mol­ecule in the equatorial plane, forming an inversion dimer-like arrangement. The water mol­ecule in the axial position is hydrogen-bonded to both Cl− anions. There are also a number of C—H⋯Cl hydrogen bonds present, forming a three-dimensional structure. All four alkyl chains are disordered over two positions with refined occupancy ratios of 0.395 (15):0.605 (15), 0.658 (14):0.342 (14), 0.332 (11):0.668 (11) and 0.622 (12):0.378 (12).
doi:10.1107/S1600536813022496
PMCID: PMC3884482  PMID: 24426994
6.  trans-Diamminedichloridobis(1H-imidazole-κN 3)nickel(II) 
The whole mol­ecule of the title compound, [NiCl2(C3H4N2)2(NH3)2], is generated by inversion symmetry. The NiII ion, which is located on an inversion center, has a distorted octa­hedral coordination environment and is surrounded by two ammine N atoms and two Cl atoms in the equatorial plane, with two N atoms of two imidazole groups occupying the axial positions. The imidazole ring makes a dihedral angle of 81.78 (18)° with the Ni/N/Cl equatorial plane. In the crystal, mol­ecules are linked via N—H⋯Cl hydrogen bonds and C—H⋯π inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536813016747
PMCID: PMC3772436  PMID: 24046579
7.  cis-Bromido(methyl­amine)­bis­(propane-1,3-di­amine)­cobalt(III) dibromide 
In the title compound, [CoBr(CH5N)(C3H10N2)2]Br2, the cobaltIII ion has a distorted octa­hedral coordination environment and is surrounded by four N atoms in the equatorial plane, with an additional N atom and the Br atom occupying the axial positions. In the crystal, the complex cation and the two counter anions are linked via N—H⋯Br and C—H⋯Br hydrogen bonds, forming a three-dimensional network.
doi:10.1107/S160053681301516X
PMCID: PMC3772414  PMID: 24046557
8.  Ethyl 8′′-chloro-1′-methyl-2,12′′-dioxo-12′′H-di­spiro­[indoline-3,2′-pyrrolidine- 3′,6′′-indolo[2,1-b]quinazoline]-4′-carboxyl­ate 
In the title compound, C29H23ClN4O4, the quinazoline-indole system and the indolin-2-one system are each essentially planar, with maximum deviations from their mean planes of 0.150 (2) and 0.072 (2) Å, respectively. The central pyrrolidine ring adopts a twisted conformation on the C—C bond involving the spiro C atoms. Its mean plane forms dihedral angles of 83.37 (9) and 86.56 (8)°, respectively, with the indole rings of the indolin-2-one and quinazoline-indole systems. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked via C—H⋯O hydrogen bonds, forming chains propagating along [001].
doi:10.1107/S1600536813015146
PMCID: PMC3772491  PMID: 24046634
9.  Ethyl 1′′-benzyl-2′′-oxo-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[indeno­[1,2-b]quinoxaline-11,2′-pyrrolizine-3′,3′′-indoline]-1′-carboxyl­ate monohydrate 
In the title compound, C38H32N4O3·H2O, the quinoxaline–indene and pyrrolizine systems are essentially planar, with maximum deviations from their mean planes of 0.162 and 0.563 Å, respectively. The pyrrolizine ring forms dihedral angles of 88.53 (5) and 89.95 (8)° with the quinoxaline–indene system and the indoline ring, respectively. The central pyrrolidine ring has an envelope conformation with the C atom bearing the quinoxaline-indene system as the flap. The pyrrolidine ring of the indole system adopts an envelope conformation with the C atom bonded to the pyrrolizine ring N atom as the flap. The five-membered ring attached to the central pyrolidine ring adopts a twisted conformation. In the crystal, O—H⋯N and O—H⋯O hydrogen bonds between water mol­ecules and pyrrolizine N and carbonyl O atoms together with C—H⋯O inter­actions result in chains along [100].
doi:10.1107/S1600536813011537
PMCID: PMC3684937  PMID: 23795039
10.  Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-di­hydro-1H-indol-3-ylidene)acetate 
The title compound, C12H10ClNO3, the indoline ring system is essentially planar, with a maximum deviation of 0.009 Å for the N atom. The indoline ring and acetate group are essentially coplanar, with a maximum deviation of 0.086 Å for the O atom. The mean plane through the methoxy­carbonyl­methyl group forms a dihedral angle of 3.68 (5)° with the plane of the indoline ring system. The mol­ecular structure is stabilized by an intra­molecular C—H⋯O hydrogen-bond inter­action. In the crystal, π–π stacking inter­actions [centroid–centroid distance = 3.7677 (8) Å] occur between benzene rings, forming a chain running along the c-axis direction.
doi:10.1107/S1600536813011768
PMCID: PMC3684938  PMID: 23795040
11.  6′-(1,3-Diphenyl-1H-pyrazol-4-yl)-7′-(1H-indol-3-ylcarbon­yl)-2-oxo-1-(prop-2-en-1-yl)-5′,6′,7′,7a’-tetra­hydro-1′H-spiro­[indoline-3,5′-pyrrolo­[1,2-c][1,3]thia­zole]-7′-carbo­nitrile 
In the title compound, C41H32N6O2S, the pyrrolo­thia­zole ring system is folded about the bridging N—C bond. The thia­zolidine and pyrrolidine rings adopt envelope (with the fused C atom as the flap) and twisted conformations, respectively. The two phenyl rings attached to the pyrazole ring are twisted from the plane of the latter by 6.8 (1) and 52.8 (1)°. The allyl group is disordered over two conformations in a 0.805 (6):0.195 (6) ratio. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers.
doi:10.1107/S1600536813011513
PMCID: PMC3684939  PMID: 23795041
12.  Ethyl 1′′-benzyl-1′-methyl-2′′-oxodi­spiro­[indeno­[1,2-b]quinoxaline-11,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxyl­ate 
In the title compound, C36H30N4O3, the quinoxaline–indene system is roughly planar, with a maximum deviation from the mean plane of 0.218 Å for the C atom shared with the central pyrrolidine ring. This latter ring forms dihedral angles of 84.54 (7) and 83.91 (8)° with the quinoxaline–indene system and the indole ring, respectively. The central pyrrolidine ring has an envelope conformation with the N atom as the flap, while the pyrrolidine and five-membered rings of the indole group adopt twisted conformation and envelope (with the C atom bearing the quinoxaline–indene system as the flap) conformations, respectively. In the crystal, mol­ecules are linked via weak C—H⋯N hydrogen bonds, forming a chain running along [100].
doi:10.1107/S1600536813011525
PMCID: PMC3684912  PMID: 23795014
13.  Methyl (3S,10b’S)-5-chloro-9′-fluoro-1-methyl-2-oxo-5′-phenyl-10b’H-spiro­[indoline-3,1′-pyrazolo­[3,2-a]iso­quinoline]-2′-carboxyl­ate 
In the title compound, C27H19ClFN3O3, the pyrazole ring has a twist conformation and the six-membered ring to which it is fused has a screw-boat conformation. The mean plane of the pyrazole ring is inclined to the 2-methyl­indoline ring by 85.03 (9) and by 28.17 (8)° to the mean plane of the iso­quinoline ring system. In the crystal, mol­ecules are linked by pairs of C—H⋯F hydrogen bonds, forming inversion dimers. These dimers are linked via C—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to (10-1).
doi:10.1107/S1600536813011549
PMCID: PMC3684913  PMID: 23795015
14.  Methyl 5′′-chloro-1′,1′′-dimethyl-2,2′′-dioxodi­spiro­[indoline-3,2′-pyrrolidine-3′,3′′-indoline]-4′-carboxyl­ate 
In the title compound, C22H20ClN3O4, the central pyrrolidine ring adopts an envelope conformation on the N atom. The indolinone systems are individually roughly planar, with maximum deviations from their mean planes of 0.130 Å for the spiro C atom of the indolinone unit and 0.172 Å for the carbonyl C atom of the 5-chloro-1-methyl­indolinone unit. They make dihedral angles of 77.7 (8) and 86.1 (8)° with the mean plane through the central pyrrolidine ring. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds supported by C—H⋯O contacts into chains along the ab diagonal. The structure also features C—H⋯O hydrogen bonds, forming R 2 2(8) and R 2 2(16) rings and generating a three-dimensional array.
doi:10.1107/S1600536813011501
PMCID: PMC3684914  PMID: 23795016
15.  N-[(1E)-5-(3-Chloro­phen­yl)-3-methyl­cyclo­hex-2-en-1-yl­idene]hydroxyl­amine 
The whole of the title mol­ecule, C13H14ClNO, is disordered over two sets of sites with a refined occupancy ratio of 0.560 (6):0.440 (6). The oxime group having a C=N double bond adopts an E conformation. The dihedral angles between the rings (all atoms) are 89.5 (5) (major componenent) and 88.0 (6)° (minor component).
doi:10.1107/S1600536813004698
PMCID: PMC3588505  PMID: 23476617
16.  (3E)-11,16-Dioxatricyclo­[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one 
The title compound, C19H18O3, crystallizes with three mol­ecules (A, B and C) in the asymmetric unit. The carbonyl O atom shows positional disorder over two sites in mol­ecules A and B; the site-occupancy ratios are 0.76 (3):0.24 (3) and 0.86 (3):0.14 (3), respectively. The ethyl­ene fragments in each mol­ecule have an E conformation, while the C—O—C—C torsion angles indicate near planarity. The dihedral angles formed by the aromatic rings are 20.0 (1), 23.7 (1) and 16.1 (1)° for mol­ecules A, B and C, respectively. Intra­molecular C—H⋯O hydrogen bonds occur in each mol­ecule.
doi:10.1107/S1600536813000299
PMCID: PMC3588484  PMID: 23476611
17.  A diastereomer of methyl (1R,3′S)-1′,1′′-dimethyl-2,2′′-dioxo-2H-dispiro­[ace­naphthyl­ene-1,2′-pyrrolidine-3′,3′′-indoline]-4′-carboxyl­ate 
In the title compound, C26H22N2O4, the central pyrrolidine ring adopts a twist conformation and the cyclo­pentane ring of the dihydro­acenapthylene group adopts an envelope conformation with the spiro C atom as the flap. The naphthalene ring system of the dihydro­acenaphthyl­ene group forms dihedral angles of 83.4 (9) and 61.3 (7)°, respectively, with the mean planes of the pyrrolidine and indole rings. The crystal packing is stabilized by inter­molecular C—H⋯O hydrogen bonds. The title compound is a diastereomer of a previously reported structure.
doi:10.1107/S1600536813004868
PMCID: PMC3588527  PMID: 23476610
18.  rac-Methyl (1R,3′S)-1′,1′′-dimethyl-2,2′′-dioxo-2H-dispiro­[acenaphthyl­ene-1,2′-pyrrolidine-3′,3′′-indoline]-4′-carboxyl­ate 
In the title compound, C26H22N2O4, the pyrrolidine ring adopts a twisted conformation and the other five-membered rings adopt envelope conformations with the spiro C atoms as the flap atoms. The naphthalene ring system of the dihydro­acenaphthyl­ene group forms dihedral angles of 89.2 (9) and 75.5 (6)° with the pyrrolidine and indole rings, respectively. The pyrrolidine ring makes a dihedral angle of 80.1 (9)° with the indole ring. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming chains along the b-axis direction.
doi:10.1107/S1600536813000470
PMCID: PMC3569768  PMID: 23424514
19.  A triclinic polymorph of methyl (3R,3′S)-1′,1′′-dimethyl-2,2′′-dioxodispiro­[indoline-3,2′-pyrrolidine-3′,3′′-indoline]-4′-carboxyl­ate 
In the title compound, C22H21N3O4, the central pyrrolidine ring adopts a C-envelope conformation with a C atom 0.6593 (13) Å displaced from the mean plane formed by the remaining ring atoms. The indoline ring systems (r.m.s. devisations of 0.0356 and 0.0547 Å) are almost perpendicular to the mean plane of the pyrrolidine ring, making dihedral angles of 89.7 (6) and 82.5 (6)°. The acetate group attached to the pyrrolidine ring assumes an extended conformation. In the crystal,N—H⋯O and C—H⋯O hydrogen bonds connect adjacent molecules, forming an infinite tape extending along [1-1-1]. The crystal packing is further consolidated by strong π–π inter­actions with a centroid–centroid distance of 3.2585 (8) Å. The title compound is a polymorph of previously reported monoclinic structure [Ganesh et al. (2012 ▶). Acta Cryst. E68, o2902–o2903].
doi:10.1107/S160053681204706X
PMCID: PMC3589042  PMID: 23476278
20.  (2-Benzoyl­phen­yl)(naphthalen-1-yl)methanone 
In the title compound, C24H16O2, the naphthalene ring system makes dihedral angles of 78.5 (6) and 65.5 (7)° with the terminal and central benzene rings, respectively. The dihedral angle between the benzene rings is 74.5 (8)°. In the crystal, neighbouring molecules are interlinked through two C—H⋯π interactions, which construct a two-dimensional supramolecular framework extending infinitely along (010).
doi:10.1107/S1600536812039098
PMCID: PMC3470370  PMID: 23125783
21.  Methyl (3S,3′R)-1-methyl-2,2′′-dioxo-1′,2′,3′,5′,6′,7′,8′,8a′-octa­hydro­dispiro­[indoline-3,2′-indolizine-3′,3′′-indoline]-1′-carboxyl­ate 
In the title compound, C25H25N3O4, the central pyrrolidine ring and the two pyrrolidine rings adopt twisted conformations, whereas the piperidine ring in the octa­hydro­indolizine fused ring system adopts a chair conformation. The indoline ring systems are almost perpendicular with respect to the mean plane of the octa­hydro­indolizine ring system, making dihedral angles of 84.4 (5) and 79.4 (5)°. The acetate group attached to the octa­hydro­indolizine ring system assumes an extended conformation. In the crystal, N—H⋯O hydrogen bonds result in the formation of a helical C(7) chain running parallel to [101]. The crystal packing features C—H⋯O hydrogen bonds and C—H⋯π inter­actions.
doi:10.1107/S1600536812037531
PMCID: PMC3470251  PMID: 23125695
22.  Methyl (3R*,3′S*)-1′,1′′-dimethyl-2,2′′-dioxodispiro­[indoline-3,2′-pyrrolidine-3′,3′′-indoline]-4′-carboxyl­ate 
In the title compound, C22H21N3O4, the central pyrrolidine ring adopts an envelope conformation with the N atom in the flap position. The indoline ring systems are almost perpendic­ular to the mean plane of the pyrrolidine ring, making dihedral angles of 86.4 (8) and 83.1 (8)°. The acetate group attached to the pyrrolidine ring assumes an extended conformation. In thecrystal, N—H⋯O hydrogen bonds result in the formation of a C(7) chain running along [100]. The crystal packing also features π–π inter­actions [centroid–centroid distance = 3.2032 (11) Å].
doi:10.1107/S1600536812037440
PMCID: PMC3470252  PMID: 23125696
23.  (3,4-Dimeth­oxy­phen­yl)[2-(thio­phen-2-ylcarbon­yl)phen­yl]methanone 
In the title compound, C20H16O4S, the thiophene ring makes dihedral angles of 72.9 (2) and 60.5 (2)°, respectively, with the dimethoxy benzene and phenyl rings. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into a C(9) chain along the b axis. The S and C atoms of the thio­phene ring are disordered over two sets of sites [site occupancies = 0.675 (3) and 0.325 (3)]. A short inter­molecular S⋯O contact [3.084 (2) Å] is observed in the crystal structure, which also features C—H⋯π inter­actions.
doi:10.1107/S1600536812037336
PMCID: PMC3470204  PMID: 23125648
24.  Methyl (E)-2-({2-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy}meth­yl)-3-(4-methyl­phen­yl)acrylate 
In the title compound, C19H19NO4, the dihedral angle between the mean planes through the benzene rings is 82.18 (7)°. The C=N double bond is trans-configured. The mol­ecules are linked into centrosymmetric dimers via pairs of O—H⋯N hydrogen bonds with the motif R 2 2(6). The crystal packing also features C—H⋯O inter­actions. The methyl group attached to one of the aromatic rings is disordered over two almost equally occupied positions [occpancy ratio = 0.51 (4):0.49 (4)].
doi:10.1107/S1600536812019046
PMCID: PMC3379223  PMID: 22719421
25.  (E)-Methyl 2-({2-eth­oxy-6-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy}meth­yl)-3-phenyl­acrylate 
In the title compound, C20H21NO5, the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hy­droxy­ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Å for the O atom. In the crystal, mol­ecules are linked into cyclic centrosymmetric dimers with an R 2 2(6) motif via pairs of O—H⋯N hydrogen bonds. Inter­molecular C—H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536812014596
PMCID: PMC3344504  PMID: 22590266

Results 1-25 (77)