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1.  2-[(E)-4-(Dimethyl­amino)­benzyl­idene]indan-1-one 
In the title compound, C18H17NO, the dihydro­indene ring system is approximately planar, with a maximum deviation of 0.041 (2) Å. This ring system is almost coplanar with the benzene ring, making a dihedral angle of 5.22 (9)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains along the b axis.
doi:10.1107/S160053681102664X
PMCID: PMC3213440  PMID: 22091019
2.  (E)-2-(4-Chloro­benzyl­idene)indan-1-one 
In the title compound, C16H11ClO, the dihedral angle between the almost planar dihydro­indene ring system (r.m.s. deviation = 0.009 Å) and the chloro­benzene ring is 3.51 (14)°. In the crystal, mol­ecules are connected by C—H⋯O and weak C—H⋯Cl inter­actions, forming infinite layers parallel to (101).
doi:10.1107/S1600536811027589
PMCID: PMC3213510  PMID: 22091089
3.  (E)-2-[4-(Trifluoro­meth­oxy)benzyl­idene]indan-1-one 
In the title compound, C17H11F3O2, the dihydro­indene ring is approximately planar with a maximum deviation of 0.024 (2) Å and makes a dihedral angle of 3.17 (8) Å with the adjacent benzene ring. In the crystal, mol­ecules are inter­connected by C—H⋯O inter­actions, forming an infinite chain along the c axis.
doi:10.1107/S1600536811028698
PMCID: PMC3213585  PMID: 22091162
4.  11-[(E)-4-Bromo­benzyl­idene]-8-(4-bromo­phen­yl)-14-hy­droxy-3,13-diaza­hepta­cyclo­[13.7.1.19,13.02,9.02,14.03,7.019,23]tetra­cosa-1(22),15,17,19(23),20-pentaen-10-one 
In the title compound, C35H28Br2N2O2, the piperidone ring adopts a chair conformation and the five-membered ring of the pyrrolidine ring adopts an envelope conformation. The naphthalene ring system makes dihedral angles of 37.12 (8) and 50.62 (9)° with the terminal bromo-substituted benzene rings. The dihedral angle between the two bromo-substituted benzene rings is 72.54 (10)°. In the crystal, adjacent mol­ecules are connected by a pair of inter­molecular C—H⋯O hydrogen bonds, forming an inversion dimer. An intra­molecular O—H⋯N hydrogen bond is also present.
doi:10.1107/S1600536810042091
PMCID: PMC3009063  PMID: 21589100
5.  7′-Phenyl-1′,3′,5′,6′,7′,7a’-hexa­hydro­dipiro[acenaphthyl­ene-1,5′-pyrrolo­[1,2-c]thia­zole-6′,2′′-indane]-2,1′′(1H)-dione 
In the title compound, C31H23NO2S, the pyrrolidine ring adopts an envelope conformation (with the spiro C atom as the flap), while the thia­zolidine ring and the two cyclo­pentane rings adopt twisted conformations. The mean plane through the hexa­hydro­pyrrolo­[1,2-c]thia­zole ring [r.m.s deviation = 0.400 (1) Å] forms dihedral angles of 76.83 (4), 80.70 (5) and 79.00 (4)° with the benzene ring and the mean planes of the dihydro­acenaphthyl­ene and the dihydro­indene rings, respectively. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into sheets lying parallel to the bc plane. One of the ketone O atoms accepts three such bonds. Weak C—H⋯π inter­actions are also observed.
doi:10.1107/S1600536812013293
PMCID: PMC3344191  PMID: 22606194
6.  1′-Methyl-4′-[4-(trifluoro­meth­yl)phen­yl]dispiro­[acenaphthyl­ene-1,2′-pyrrolidine-3′,2′′-indane]-2,1′′(1H)-dione 
In the title compound, C31H22F3NO2, the pyrrolidine and cyclo­pentane rings within the dihydro­indene ring system are in envelope conformations, with the N atom and the spiro-C atom at the flap, respectively. An intra­molecular C—H⋯O hydrogen bond forms an S(8) ring motif. The mean plane through the pyrrolidine ring [r.m.s. deviation = 0.179 (2) Å] makes dihedral angles of 86.30 (13), 88.99 (10) and 79.69 (11)° with the benzene ring, the dihydro­acenaphthyl­ene ring and the mean plane of the indane system, respectively. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the ac plane. C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536812013645
PMCID: PMC3344443  PMID: 22590205
7.  5-[(E)-2-Bromo­benzyl­idene]-8-(2-bromo­phen­yl)-2-hy­droxy-10-methyl-3,10-di­aza­hexa­cyclo­[10.7.1.13,7.02,11.07,11.016,20]henicosa-1(20),12,14,16,18-pentaen-6-one 
In the title compound, C33H26Br2N2O2, the piperidine group adopts an envelope conformation while the two pyrrolidine groups adopt half-chair and envelope conformations. The dihydro­acenaphthyl­ene group is almost planar, with a maximum deviation of 0.105 (1) Å. The dihedral angle between the two bromo­phenyl rings is 60.19 (8)°. An intra­molecular O—H⋯N inter­action is observed, generating an S(5) ring motif. The crystal structure is stabilized by inter­molecular C—H⋯O inter­actions. Short Br⋯Br [3.461 (1) Å] and Br⋯C [3.322 (2) Å] inter­molecular contacts are observed, as well as π–π inter­actions [centroid–centroid distance = 3.793 (1) Å].
doi:10.1107/S1600536810033295
PMCID: PMC3007989  PMID: 21588715
8.  16-[(E)-4-Bromo­benzyl­idene]-13-(4-bromo­phen­yl)-2-hy­droxy-11-methyl-1,11-diaza­penta­cyclo­[12.3.1.02,10.03,8.010,14]octa­deca-3(8),4,6-triene-9,15-dione 
In the title pyrrolidine compound, C30H24Br2N2O3, the two fused pyrrolidine rings adopt envelope and twisted conformations, whereas the piperidine ring adopts an envelope conformation. The essentially planar 2,3-dihydro­indanone unit [maximum deviation = −0.0163 (19) Å] is inclined at inter­planar angles of 14.29 (9) and 61.07 (9)° to the two benzene rings. In the crystal, adjacent mol­ecules are linked into dimers by inter­molecular O—H⋯N and C—H⋯O hydrogen bonds. Short inter­molecular Br⋯Br inter­actions [3.5140 (6) Å] further inter­connect these dimers into double dimeric columns along the b axis.
doi:10.1107/S1600536810051585
PMCID: PMC3050270  PMID: 21522647
9.  (2E)-2-Benzyl­idene-5,6-dimethoxy­indan-1-one 
The mol­ecular structure of the title compound, C18H16O3, is roughly planar; the maximum deviation of the indanone ring system is 0.027 (1) Å and it makes a dihedral angle of 2.69 (3)° with the phenyl ring. The torsion angles between the two meth­oxy groups and the ­indanone ring are −14.67 (11) and −1.11 (12)°. In the crystal, mol­ecules are connected into a ribbon along the a axis via weak inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π and π–π [centroid–centroid distance = 3.7086 (6) Å] inter­actions are also observed.
doi:10.1107/S1600536810035695
PMCID: PMC2983266  PMID: 21587524
10.  [N,N′-Bis(4-bromo­benzyl­idene)-2,2-di­methyl­propane-κ2 N,N′]iodidocopper(I) 
The title compound, [CuI(C19H20Br2N2)], lies across a crystallographic mirror plane. The coordination around the copper centre is distorted trigonal planar, with a bite angle of 94.7 (3)°. A six-membered chelate ring in a chair conformation is formed by the coordination of the imine N atoms of the bidentate ligand to the CuI atom. This conformation is required by the crystallographic mirror symmetry. The inter­planar angle between the benzene rings is 74.85 (19)°. The crystal structure exhibits weak inter­molecular C—H⋯π inter­actions, which link the mol­ecules into chains along the b axis.
doi:10.1107/S1600536809005078
PMCID: PMC2968488  PMID: 21582073
11.  4′-(3-Bromo­phen­yl)-1′-methyl­dispiro­[indan-2,2′-pyrrolidine-3′,2′′-indan]-1,3,1′′-trione 
In the title compound, C27H20BrNO3, two intra­molecular C—H⋯O hydrogen bonds both form S(6) rings. The pyrrolidine ring adopts a twisted conformation about the C—C bond bearing the indane ring systems. The other two five-membered rings within the indane systems are in shallow envelope conformations, with the spiro C atoms as the flap atoms. The mean plane of the pyrrolidine ring [maximum deviation = 0.275 (1) Å] makes dihedral angles of 65.25 (7), 78.33 (6) and 75.25 (6)° with the bromo-substituted benzene ring and the mean planes of the mono- and dioxo-substituted indane rings, respectively. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds into a three-dimensional network. In addition, C—H⋯π inter­actions are observed.
doi:10.1107/S1600536812037993
PMCID: PMC3470256  PMID: 23125700
12.  4-Bromo-2-(4-fluoro­benzyl­idene)indan-1-one 
In the mol­ecule of the title compound, C16H10BrFO, the indane ring system is planar with a maximum deviation of 0.020 (3) Å. An intra­molecular C—H⋯O inter­action results in the formation of a planar ring, which is oriented at dihedral angles of 2.24 (3) and 2.34 (3)° with respect to the adjacent rings. π–π contacts between the benzene and indane rings [centroid–centroid distances = 3.699 (1) and 3.786 (1)Å] may stabilize the crystal structure.
doi:10.1107/S1600536809025781
PMCID: PMC2977330  PMID: 21583618
13.  2-[(E)-2,5-Dimethoxy­benzyl­idene]indan-1-one 
In the title compound, C18H16O3, the mean plane of the nine-membered indane system makes a dihedral angle of 3.71 (17)° with the benzene ring of the dimethoxy­phenyl group. The mol­ecular conformation is stabilized by intra­molecular C—H⋯O hydrogen contacts. The crystal structure is stabilized by inter­molecular C—H⋯O inter­actions, which link neighbouring mol­ecules into one-dimensional extended chains along the [100] direction. In the structure, C—H⋯π inter­actions are also observed.
doi:10.1107/S1600536809013579
PMCID: PMC2977741  PMID: 21583877
14.  4′-(4-Bromo­phen­yl)-1′-methyl­dispiro­[acenaphthyl­ene-1,2′-pyrrolidine-3′,2′′-indane]-2,1′′(1H)-dione 
In the title compound, C30H22BrNO2, the cyclo­pentane ring of the dihydro­acenaphthyl­ene group and the pyrrolidine ring are both in envelope conformations with the spiro C atom and N atom, respectively, as the flap atom. The cyclo­pentane ring of the indane group adopts a half-chair conformation. A weak intra­molecular C—H⋯O hydrogen bond forms an S(8) ring motif. The naphthalene ring system of the dihydro­acenaphthyl­ene group forms dihedral angles of 41.76 (6) and 42.17 (6)° with the benzene ring of the bromo­phenyl group and the benzene ring of the indane group, respectively. The dihedral angle between the two benzene rings is 83.92 (7)°. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the ac plane. Weak C—H⋯π inter­actions are also observed.
doi:10.1107/S1600536812014213
PMCID: PMC3344476  PMID: 22590238
15.  7′-[4-(Trifluoro­meth­yl)phen­yl]-5′,6′,7′,7a’-tetra­hydrodispiro­[indan-2,5′-pyrrolo­[1,2-c][1,3]thia­zole-6′,2′′-indan]-1,3,1′′-trione 
In the title compound, C29H20F3NO3S, the thia­zolidine ringadopts a half-chair conformation. The pyrrolidine and two five-membered carbocyclic rings are in envelope conformations with the spiro C atoms at the flaps. The trifluoro­methyl-substituted benzene ring forms dihedral angles of 62.37 (14) and 87.40 (14)° with the benzene rings of the dihydro-1H-indene units. The two benzene rings form a dihedral angle of 36.94 (15)°. The mol­ecular structure is stabilized by intra­molecular C—H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal, mol­ecules are linked into inversion dimers by pairs of inter­molecular C—H⋯O hydrogen bonds, generating R 2 2(10) ring motifs.
doi:10.1107/S1600536811047118
PMCID: PMC3238947  PMID: 22199796
16.  N′-(2-Bromo­benzyl­idene)-3,4,5-tri­methoxy­benzohydrazide methanol solvate 
The title compound, C17H17BrN2O4·CH4O, was synthesized by the condensation of 3,4,5-trimethoxy­benzohydrazide and 2-bromo­benzaldehyde. The two aromatic rings are approximately planar, the dihedral angle being 3.08 (9)°. The mol­ecules are linked by inter­molecular N—H⋯O and O—H⋯O hydrogen bonds into chains along the a axis.
doi:10.1107/S1600536808021764
PMCID: PMC2962239  PMID: 21203320
17.  N′-(4-Bromo­benzyl­idene)quinoline-8-sulfonohydrazide 
In the title compound, C16H12BrN3O2S, the dihedral angle between the planes of the almost planar (r.m.s. deviation = 0.0263 Å) quinoline group and the bromo­phenyl group is 87.4 (1)°. The torsion angle of the central S—N—N—C bridge is 144.8 (2)°. The amino group has an intra­molecular contact to the quinoline N atom. The structure is stabilized by one N—H⋯O and two C—H⋯O inter­molecular hydrogen bonds.
doi:10.1107/S1600536809008848
PMCID: PMC2968966  PMID: 21582504
18.  Methyl 2-(2-bromo­benzyl­idene)-5-(4-hy­droxy­phen­yl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate 
In the title compound, C22H17BrN2O4S, the central dihydropyrimidine ring, with a chiral C atom, is significantly puckered and adopts a half-chair conformation with the chiral C atom displaced from the mean plane of the remaining ring atoms by 0.305 (6) Å. The hydroxy-phenyl ring is positioned axially to the pyrimidine ring and almost bisects it, the dihedral angle between the mean-planes of the two rings being 89.78 (12)°. The meth­oxy­carbonyl group is disordered over two sites with an occupancy ratio of 0.568 (5):0.432 (5), resulting in a major and a minor conformer. In the crystal, O—H⋯N and C—H⋯S inter­actions result in sheets along the c axis. The supra­molecular assembly is stabilized by π–π stacking inter­actions between the 2-bromo­benzyl­idene and thia­zolopyrimidine rings [centroid–centroid distance = 3.632 (1) Å]. In addition, C—H⋯π inter­actions are also observed in the crystal structure.
doi:10.1107/S1600536812013311
PMCID: PMC3344184  PMID: 22606187
19.  N,N′-Bis(4-bromo­benzyl­idene)-2,2-dimethyl­propane-1,3-diamine 
The mol­ecule of the title compound, C19H20Br2N2, is a potential bidentate Schiff base ligand. The two benzene rings are inclined at a dihedral angle of 30.85 (8)°. An inter­esting feature of the crystal structure is a weak inter­molecular Br⋯Br [3.4752 (4) Å] inter­action which is shorter than the sum of the van der Waals radii of the Br atoms and links neighbouring mol­ecules into chains along the c axis. The crystal structure is further stabilized by inter­molecular C—H⋯π inter­actions.
doi:10.1107/S1600536809008113
PMCID: PMC2968840  PMID: 21582479
20.  (E)-Methyl N′-(4-bromo­benzyl­idene)­hydrazinecarboxyl­ate at 123 K 
The title compound, C9H9BrN2O2, crystallizes with two independent but essentially identical mol­ecules in the asymmetric unit. Each mol­ecule adopts a trans configuration with respect to the C=N bond. In one of the mol­ecules, the dihedral angle between the benzene ring and the hydrazinecarboxylic acid plane is 24.9 (2)°, and that in the other mol­ecule is 16.1 (2)°. The mol­ecules are linked into a three-dimensional network via inter­molecular N—H⋯O, C—H⋯O, C—H⋯N and C—H⋯Br hydrogen bonds. An intramolecular N—H⋯O hydrogen bond is also present.
doi:10.1107/S1600536808021983
PMCID: PMC2962168  PMID: 21203248
21.  (E)-2-{2-tert-Butyl-6-[2-(4-hy­droxy­phen­yl)ethen­yl]-1-propyl-1,4-dihydro­pyridin-4-yl­idene}indane-1,3-dione 
The title compound, C29H29NO3, the nearly planar nine-membered indanedione ring [maximum deviation = 0.027 (2) Å] is located approximately parallel to its carrier pyridine ring [maximum deviation = 0.021 (2) Å] with a dihedral angle of 1.8 (1)° between the planes. However, because of steric hindrance, the benzene ring [maximum deviation = 0.006 (2) Å] is not parallel to the pyridine ring [dihedral angle = 37.29 (8)°]. The mol­ecules display numerous inter­molecular π–π inter­actions between the five- and six-membered rings, the shortest centroid–centroid distance being 3.796 (2) Å. There are inter- and intra­molecular O—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810051044
PMCID: PMC3050276  PMID: 21522650
22.  (E)-Ethyl N′-(4-bromo­benzyl­idene)hydrazinecarboxyl­ate 
The title compound, C10H11BrN2O2, crystallizes with two independent mol­ecules in the asymmetric unit, in which the dihedral angles between the benzene ring and the hydrazine carboxylic acid mean plane are 3.0 (4) and 45.3 (3)°. The mol­ecules are linked into a one-dimensional network by inter­molecular N—H⋯O hydrogen bonds.
doi:10.1107/S1600536808023763
PMCID: PMC2962206  PMID: 21203333
23.  (E)-N′-(2-Bromo­benzyl­idene)-2-fluoro­benzohydrazide 
The title compound, C14H10BrFN2O, adopts an E geometry about the C=N bond. The dihedral angle between the mean planes of the two benzene rings is 81.5 (6)°. In the crystal, mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming chains running along the b axis.
doi:10.1107/S1600536811009937
PMCID: PMC3099753  PMID: 21754208
24.  6-Bromo-1-methyl-4-[2-(4-methyl­benzyl­idene)hydrazinyl­idene]-3H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C17H16BrN3O2S, the two fused rings are twisted by a dihedral angle of 6.61 (15)°. The thia­zine ring adopts a sofa conformation. The toluene ring is oriented at dihedral angles of 15.5 (2) and 20.6 (2)° with respect to the bromo­benzene and thia­zine rings, respectively. The benzyl­idene system is approximately planar [r.m.s. deviation = 0.0388 Å]. In the cyrstal, weak inter­molecular C—H⋯O hydrogen bonds connects the mol­ecules into a chain along the b axis.
doi:10.1107/S1600536811028406
PMCID: PMC3213534  PMID: 22091111
25.  N′-(4-Bromo­benzyl­idene)isonicotino­hydrazide 
The title compound, C13H10BrN3O, was prepared by the reaction of isonicotinohydrazide and 4-bromo­benzaldehyde. The dihedral angle between the benzene and pyridine rings is 8.60 (12)°. The crystal packing is stabilized by inter­molecular C—H⋯O and N—H⋯O hydogen-bonding inter­actions.
doi:10.1107/S1600536808036271
PMCID: PMC2959976  PMID: 21581296

Results 1-25 (398342)