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author:("govind, E.")
1.  Isopropyl 1-benzoyl-4-benzo­yloxy-2,6-di­phenyl-1,2,3,6-tetrahydropyridine-3-carboxyl­ate 
In the title compound, C35H31NO5, the piperidine ring has an envelope conformation, with the phenyl-substituted C atom adjacent to the methyl­ene C atom as the flap. This flap atom deviates by 0.633 (2) Å from the mean plane of the other five essentially coplanar atoms in the ring (r.m.s. deviation = 0.044 Å). Intra­molecular C—H⋯O hydrogen bonds form S(7) and S(9) ring motifs. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers with R 2 2(16) loops.
doi:10.1107/S1600536814015244
PMCID: PMC4158511  PMID: 25249905
crystal structure
2.  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
3.  (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
4.  (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
5.  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
6.  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
7.  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
8.  (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
9.  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
10.  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
11.  (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
12.  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
13.  (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
14.  (E)-2-({2-[(E)-(Hy­droxy­imino)­meth­yl]phen­oxy}meth­yl)-3-o-tolyl­acrylonitrile 
In the title compound, C18H16N2O2, the dihedral angle between the mean planes through the two benzene rings is 56.8 (6)°. 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 0.047 (1) Å for the hy­droxy­imino O atom. In the crystal, the mol­ecules are linked into cyclic centrosymmetric dimers with R 2 2(6) motifs via O—H⋯N hydrogen bonds.
doi:10.1107/S1600536812001481
PMCID: PMC3275232  PMID: 22347088
15.  3′-[Hy­droxy(4-oxo-4H-chromen-3-yl)meth­yl]-2-oxospiro­[indoline-3,2′-pyrrolidine]-3′-carbonitrile 
In the title compound, C23H19N3O4, the pyran ring adopts a half-chair conformation, while the pyrrolidine (with a C atom as the flap atom) and the five-membered ring in the indoline (with a C atom as the flap atom) ring system adopt slight envelope conformations. The pyrrolidine ring makes dihedral angles of 83.3 (1) and 60.4 (1)° with the mean plane through all non-H atoms of the indoline and chromene ring systems, respectively. In the crystal, mol­ecules are connected by two unique N—H⋯O and O—H⋯O hydrogen-bonding inter­actions, which form centrosymmetric patterns described by graph-set motifs R 2 2(18) and R 2 2(14). These two motifs combine to form a hydrogen-bonded chain which propagates in the a-axis direction. The crystal structure is also stablized by C—H⋯O inter­actions and by aromatic π–π stacking inter­actions between the pyran and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.755 (1) Å and slippage = 1.371 (2) Å].
doi:10.1107/S1600536811053098
PMCID: PMC3254481  PMID: 22259423
16.  (E)-Methyl 3-(4-ethyl­phen­yl)-2-{2-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy­meth­yl}acrylate 
In the title compound, C20H21NO4, the two benzene rings are almost perpendicular to each other, making a dihedral angle of 86.1 (7)°. The hy­droxy­ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane of the hy­droxy­ethanimine [C=N—OH] group being 0.011 (1) Å for the O atom. An intra­molecular C—H⋯O hydrogen bond occurs. The mol­ecules are linked into cyclic centrosymmetric R 2 2(6) dimers via O—H⋯N hydrogen bonds. Inter­molecular C—H⋯O hydrogen bonds link the mol­ecules, forming a C(8) chain along the a axis. The crystal packing is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536811038359
PMCID: PMC3201344  PMID: 22058811
17.  (E)-Methyl 3-(4-chloro­phen­yl)-2-{2-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy­meth­yl}acrylate 
In the title compound, C18H16ClNO4, the dihedral angle between the mean planes through the aromatic rings is 83.8 (8)°. The hy­droxy­ethanimine group is essentially coplanar with the ring to which it is attached [O—N—C—C torsion angle = −177.96 (13)°]. The mol­ecules are linked into centrosymmetric R 2 2(6) dimers via O—H⋯N hydrogen bonds. The crystal packing is further stabilized by C—H⋯O inter­actions.
doi:10.1107/S1600536811038372
PMCID: PMC3201559  PMID: 22064839
18.  (3-Phenyl­sulfanyl-1-phenyl­sulfonyl-1H-indol-2-yl)methyl acetate 
In the title compound, C23H19NO4S2, the indole ring system makes dihedral angles of 89.6 (1) and 84.5 (8)° with the phenyl­sulfonyl and phenyl­sulfanyl rings, respectively. In the crystal, the mol­ecules are linked into C(10) chains running along the c axis by an inter­molecular C—H⋯O hydrogen bond. In addition, the crystal packing is stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536811014802
PMCID: PMC3089099  PMID: 21754534
19.  Phen­yl(1-phenyl­sulfonyl-1H-indol-2-yl)methanone 
The asymmetric unit of the title compound, C21H15NO3S, contains two crystallographically independent mol­ecules. As a result of the electron-withdrawing character of the phenyl­sulfonyl groups, the N—Csp 2 bond lengths are slightly longer than the anti­cipated value of approximately 1.35 Å for N atoms with planar configurations. Both unique S atoms have a distorted tetra­hedral configuration. In each mol­ecule, the indole ring system is essentially planar (r.m.s. deviations for all non-H atoms of 0.020 and 0.023 Å). In one mol­ecule, the indole ring system makes dihedral angles of 65.7 (8) and 73.4 (8)°, respectively, with the benzene and phenyl rings [62.2 (7) and 72.1 (7)°, respectively, in the other mol­ecule].
doi:10.1107/S1600536811008439
PMCID: PMC3099964  PMID: 21754126
20.  1′-Methyl-3′-(4-methyl­benzo­yl)-4′-[5-(2-thien­yl)-2-thien­yl]spiro­[acenaphthyl­ene-1,2′-pyrrolidin]-2(1H)-one 
In the title compound, C32H25NO2S2, the mean plane through the five-membered pyrrolidine ring, which exhibits an envelope conformation, makes dihedral angles of 82.3 (1) and 83.9 (9)° with the benzene ring and the acenaphthyl­ene ring system, respectively. The dihedral angle between the thiophene rings is 19.0(3)°. The crystal structure shows C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.869 (2) Å].
doi:10.1107/S1600536810053869
PMCID: PMC3051628  PMID: 21522959
21.  3′-(4-Chloro­benzo­yl)-1′-methyl-4′-[5-(2-thien­yl)-2-thien­yl]spiro­[acenaphthyl­ene-1,2′-pyrrolidin]-2(1H)-one 
In the title compound, C31H22ClNO2S2, the five-membered pyrrolidine ring, which exhibits an envelope conformation, makes a dihedral angle of 87.4 (2)° with the acenaphthyl­ene ring system. The crystal structure is stabilized by π–π inter­actions [centroid–centroid distance = 3.869 (2) Å]. A C atom and the S atom of the thiophene ring are disordered over two positions with refined occupancies of 0.629 (7) and 0.372 (7).
doi:10.1107/S1600536810053870
PMCID: PMC3051732  PMID: 21522960

Results 1-21 (21)