PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (438844)

Clipboard (0)
None

Related Articles

1.  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
2.  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
3.  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
4.  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
5.  (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
6.  [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
7.  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
8.  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
9.  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
10.  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
11.  (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
12.  (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
13.  (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
14.  19-[(E)-4-Chloro­benzyl­idene]-16-(4-chloro­phen­yl)-2-hydr­oxy-1,11-diaza­hexa­cyclo­[15.3.1.02,10.03,8.010,17.011,15]henicosa-3(8),4,6-triene-9,18-dione 
In the title compound, C32H26Cl2N2O3, the piperidone ring adopts a chair conformation and the proline and pyrrolidine rings adopt envelope conformations. The indane ring system is essentially planar with an r.m.s. deviation of 0.011 Å for the non-H atoms. The dihedral angle between the two chloro-substituted benzene rings is 63.69 (10)°. Intra­molecular C—H⋯O and N—H⋯O hydrogen bonds may influence the mol­ecular conformation. In the crystal structure, mol­ecules are connected into layers by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810018611
PMCID: PMC2979351  PMID: 21579517
15.  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
16.  (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
17.  (2E)-2-(4-Bromo­benzyl­idene)-2,3-di­hydro-1H-inden-1-one 
The title indan-1-one derivative, C16H11BrO, is planar, the r.m.s. deviation for all 18 non-H atoms being 0.071 Å. The configuration about the C=C bond [1.337 (5) Å] is E. In the crystal, supra­molecular layers in the ab plane are formed by C—H⋯O inter­actions, involving the bifurcated carbonyl O atom, as well as C—H⋯π inter­actions. The studied crystal was an inversion twin.
doi:10.1107/S1600536812006654
PMCID: PMC3295522  PMID: 22412633
18.  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
19.  N-(4-Bromo­benzyl­idene)-3,4-dimethyl­isoxazol-5-amine 
In the title compound, C12H11BrN2O, the 4-bromo­benzaldehyde and 5-amino-3,4-dimethyl­isoxazole units are oriented at a dihedral angle of 4.89 (8)°. In the crystal, weak π–π inter­actions are present between the benzene rings at a centroid–centroid distance of 3.7862 (14) Å.
doi:10.1107/S1600536810027893
PMCID: PMC3007294  PMID: 21588377
20.  6-Bromo-4-[2-(4-fluoro­benzyl­idene)hydrazin-1-yl­idene]-1-methyl-3,4-dihydro-1H-2λ6,1-benzothia­zine-2,2-dione 
In the title compound, C16H13BrFN3O2S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thia­zine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules and weak aromatic π–π stacking between the fluoro­benzene and bromo­benzene rings [centroid–centroid separation = 3.720 (2) Å and inter­planar angle = 2.6 (2)°] is also observed.
doi:10.1107/S1600536812037403
PMCID: PMC3470210  PMID: 23125654
21.  (E)-N′-(4-Bromo­benzyl­idene)-p-toluene­sulfonohydrazide 
In the title compound, C14H13BrN2O2S, a novel sulfonamide derivative, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link neighbouring mol­ecules into different dimers along the b axis, generating R 2 2(8) and R 2 2(16) ring motifs. The dihedral angle between the benzene rings is 82.39 (13)°. The crystal structure is further stabilized by inter­molecular π–π stacking inter­actions [centroid–centroid distances = 3.867 (2)–3.9548 (8) Å].
doi:10.1107/S1600536809009751
PMCID: PMC2968802  PMID: 21582542
22.  N,N′-Bis(3-bromo­benzyl­idene)ethane-1,2-diamine 
The mol­ecule of the title Schiff base compound, C16H14Br2N2, lies across a crystallographic inversion centre. The C=N bond adopts a trans configuration. The imino group is coplanar with the benzene ring. Within the mol­ecule, the planar units are parallel, but extend in opposite directions from the dimethyl­ene bridge. The inter­esting feature of the structure is the weak Br⋯Br inter­action [3.7501 (2) Å] linking the mol­ecules into chains along the c axis. These chains are stacked along the b axis.
doi:10.1107/S1600536808021132
PMCID: PMC2962103  PMID: 21203185
23.  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
24.  (E)-4-[(4-Bromo­benzyl­idene)amino]phenol 
In the title compound, C13H10BrNO, the dihedral angle between the benzene rings is 35.20 (8)°. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds, forming a zigzag chain along the a axis. A weak C—H⋯π inter­action is observed between the chains.
doi:10.1107/S160053680905538X
PMCID: PMC2979767  PMID: 21579746
25.  1-(2,4-Di­nitro­phen­yl)-2-[(E)-(3,4,5-tri­meth­oxy­benzyl­idene)]hydrazine 
Mol­ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth­oxy groups of the 3,4,5-tri­meth­oxy­benzene moiety lie in the plane of the attached ring [Cmeth­yl–O–C–C torsion angles −0.1 (4)° and −3.7 (3)°] while the para-meth­oxy substituent lies out of the plane [Cmeth­yl—O—C—C, −86.0 (3)°]. An intra­molecular N—H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol­ecules are linked by weak C—H⋯O inter­actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π–π stacking inter­actions between the nitro and meth­oxy substituted aromatic rings with a centroid–centroid separation of 3.9420 (13) Å. C—H⋯π contacts further stabilize the two-dimensional network.
doi:10.1107/S1600536814001238
PMCID: PMC3998339  PMID: 24764900

Results 1-25 (438844)