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1.  (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
2.  (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
3.  Methyl (E)-2-({2-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy}meth­yl)-3-phenyl­acrylate 
In the title compound, C18H17NO4, the hy­droxy­ethanimine group is essentially coplanar with the ring to which it is attached [C—C—N—O torsion angle = 179.94 (14)°]. The mol­ecules are linked into cyclic centrosymmetric R 2 2(6) dimers via O—H⋯N hydrogen bonds and the crystal packing is further stabilized by C—H⋯O inter­actions.
doi:10.1107/S1600536812002711
PMCID: PMC3295410  PMID: 22412521
4.  (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
5.  (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
6.  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
7.  (E)-2-({2-[(E)-(Hy­droxy­imino)­meth­yl]phen­oxy}meth­yl)-3-phenyl­acrylonitrile 
In the title compound, C17H14N2O2, the hy­droxy­ethanimine group adopts an anti­periplanar conformation. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds, forming zigzag chains running along the c axis.
doi:10.1107/S1600536812003923
PMCID: PMC3297320  PMID: 22412510
8.  (2,4-Dihy­droxy-6-meth­oxy­phen­yl)(3,5-dihy­droxy­phen­yl)methanone monohydrate 
The title benzophenone compound, C14H12O6·H2O, was isolated from the bark of Garcinia hombroniana Pierre (Guttiferae). The mol­ecule is twisted, the dihedral angle between the two benzene rings being 59.13 (7)°. The meth­oxy group is approximately coplanar with the attached benzene ring, with a C—O—C—C torsion angle of 1.91 (18)°. The water mol­ecule is disordered over two positions in a 0.555 (19):0.445 (19) ratio. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by inter­molecular O—H⋯O hydrogen bonds. These inter­actions link the mol­ecules into sheets parallel to the ac plane. The sheets are stacked along the b axis by π–π inter­actions, with centroid–centroid distances of 3.6219 (7) Å. A weak O—H⋯π inter­action was also noted.
doi:10.1107/S1600536811037913
PMCID: PMC3201278  PMID: 22065717
9.  (E)-1-[2-Hy­droxy-4,6-bis­(meth­oxy­meth­oxy)phen­yl]-3-[3-meth­oxy-4-(meth­oxy­meth­oxy)phen­yl]prop-2-en-1-one 
The title compound, C22H26O9, crystallizes with two independent mol­ecules in the asymmetric unit in which the dihedral angles between the two benzene rings are 21.4 (2) and 5.1 (2)°. An intra­molecular O—H⋯O hydrogen bond occurs in each mol­ecule. Inter­molecular C—H⋯O hydrogen bonds stabilize the crystal structure.
doi:10.1107/S1600536811041213
PMCID: PMC3247344  PMID: 22219962
10.  Crystal structure of (2E)-1-(4-hy­droxy-3-meth­oxy­phen­yl)-3-(4-hy­droxy­phen­yl)prop-2-en-1-one 
In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The meth­oxy group is essentially coplanar with the benzene ring to which it is attached, with a C—O—C C torsion angle of 5.5 (9)°. In the crystal, mol­ecules are linked by O—H⋯O and bifurcated O—H⋯(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.
doi:10.1107/S1600536814021953
PMCID: PMC4257319  PMID: 25484802
crystal structure; prop-2-en-1-one; chalcones; biological activity; hydrogen bonding
11.  Bis­{(E)-3-[2-(hy­droxy­imino)­propan­amido]-2,2-dimethyl­propan-1-aminium} bis[μ-(E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamido­(2−)]bis­{[(E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide]­copper(II)} bis­((E)-{3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­prop­yl}carbamate) acetonitrile disolvate 
The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu2+ ions are connected by two N—O bridging groups [Cu⋯Cu separation = 4.0608 (5) Å] while the CuII ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol­ecule co-crystallizes with two mol­ecules of acetonitrile, two mol­ecules of the protonated ligand (E)-3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­propan-1-aminium and two negatively charged (E)-{3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­prop­yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide and hydro­gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2 +.C9H16N3O4 − are connected via an extended system of hydrogen bonds.
doi:10.1107/S160053681204620X
PMCID: PMC3588739  PMID: 23468704
12.  14-Hy­droxy-11-[(E)-4-meth­oxy­benzyl­idene]-8-(4-meth­oxy­phen­yl)-5-thia-3,13-diaza­hepta­cyclo­[13.7.1.19,13.02,9.02,14.03,7.019,23]tetra­cosa-1(22),15(23),16,18,20-pentaen-10-one 
In the title compound, C36H32N2O4S, the piperidine ring adopts a chair conformation, while the five-membered pyrrolidine (with a C atom as the flap atom) and thia­zolidine (with the S atom as the flap atom) rings adopt envelope conformations. The naphthalene ring system makes dihedral angles of 18.82 (5) and 40.92 (5)° with the two meth­oxy-substituted benzene rings. In the crystal, centrosymmetrically-related mol­ecules are linked into dimers via pairs of C—H⋯O and C—H⋯N hydrogen bonds. An intra­molecular O—H⋯N hydrogen bond is also observed. The crystal structure is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S160053681104061X
PMCID: PMC3247613  PMID: 22219918
13.  4-Bromo-2-({4-[(hy­droxy­imino)­meth­yl]phen­yl}imino­meth­yl)phenol 
In the title compound, C14H11BrN2O2, the mean planes of the two benzene rings are almost parallel to each other, making a dihedral angle of 4.09 (1)°. An intra­molecular O—H⋯N hydrogen bond occurs. In the crystal, inter­molecular O—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into a chain-like supra­molecular structure.
doi:10.1107/S160053681002698X
PMCID: PMC3007216  PMID: 21588325
14.  5,7-Dihy­droxy-2-(3-hy­droxy-4,5-dimeth­oxy­phen­yl)-6-meth­oxy-4H-chromen-4-one 
The title compound, C18H16O8, was isolated from the plant Artemisia baldshuanica Krasch et Zarp. The mol­ecule is approximately planar, with the exception of the terminal methyl groups, the C atoms of which devitate from their attached ring planes by 1.243 (5) and 1.168 (5) Å. The dihedral angle between the substituted benzopyran and benzene rings is 5.8 (1)°; this near planarity could be due to conjugation or a packing effect. Intra­molecular O—H⋯O and C—H⋯O hydrogen bonds occur. In the crystal, mol­ecules are connected by O—H⋯O hydrogen bonds involving the hy­droxy and carbonyl groups, forming hydrogen-bonded chains along [001] and [1-10]. The chains are linked by C—H⋯O inter­actions.
doi:10.1107/S1600536813007381
PMCID: PMC3629625  PMID: 23634112
15.  (E)-3-(4-Hy­droxy-3-meth­oxy­phen­yl)-1-(4-hy­droxy­phen­yl)prop-2-en-1-one 
In the title compound, C16H14O4, there is an intra­molecular O—H⋯O hydrogen bond. The benzene rings are inclined to one another by 13.89 (9)°. The prop-2-en-1-one group is twisted slightly, the O=C—Car—Car (ar = aromatic) and C=C—C=O torsion angles being −10.4 (3) and −7.4 (3)°, respectively. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains along [100]. These chains are further linked by O—H⋯O hydrogen bonds, forming corrugated sheets lying parallel to (010). There are C—H⋯π inter­actions present within the sheets.
doi:10.1107/S1600536814008757
PMCID: PMC4011235  PMID: 24860391
16.  (E)-1-{4-[Bis(4-meth­oxy­phen­yl)meth­yl]piperazin-1-yl}-3-(4-eth­oxy-3-meth­oxy­phen­yl)prop-2-en-1-one 
In the mol­ecule of the title compound, C31H36N2O5, the piperazine ring displays a chair conformation. The dihedral angle between the benzene rings of the bis­(4-meth­oxy­phen­yl)methyl group is 83.42 (15)°. In the crystal, centrosymmetric­ally related mol­ecules are linked through pairs of C—H⋯O hydrogen bonds into dimers, generating an R 2 2(10) ring motif. The dimers are further connected into chains parallel to [2-10] by C—H⋯O hydrogen bonds involving the meth­oxy groups.
doi:10.1107/S1600536812012767
PMCID: PMC3344185  PMID: 22606188
17.  Di-μ-oxido-bis­[(2-eth­oxy-6-{[2-(2-hy­droxy­ethyl­amino)­ethyl­imino]­meth­yl}phenolato-κ3 N,N′,O 1)oxidovanadium(V)] 
In the title centrosymmetric dinuclear dioxidovanadium(V) complex, [V2(C13H19N2O3)2O4], the VV ion is coordinated by an N,N′,O-tridendate 2-eth­oxy-6-{[2-(2-hy­droxy­ethyl­amino)­ethyl­imino]­meth­yl}phenolate ligand and three oxide O atoms, forming a distorted cis-VN2O4 octa­hedral geometry. The bridging O atoms show one short and one long bond to their two attached VV atoms. The dihedral angle between the benzene ring of the ligand and the V2O2 plane is 75.2 (3)°. The deviation of the VV ion from the plane defined by the three donor atoms of the tridentate ligand and one bridging oxide O atom is 0.337 (2) Å towards the terminal oxide O atom. Two N—H⋯O hydrogen bonds help to establish the conformation of the dimer. In the crystal, the complex mol­ecules are linked by O—H⋯O hydrogen bonds, forming [100] chains.
doi:10.1107/S160053681105094X
PMCID: PMC3254302  PMID: 22259331
18.  (E)-3-(8-Benz­yloxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-hy­droxy-4,6-bis­(meth­oxy­meth­oxy)phen­yl]prop-2-en-1-one 
In the title mol­ecule, C28H28O9, the phenol and the benzene rings adjacent to the α,β-unsaturated ketone unit are inclined at 9.15 (13)° to each other. The terminal phenyl ring is oriented with respect to the phenol ring at a dihedral angle of 85.88 (13)°. In the crystal, the methyl­ene C atoms of the dihydro­dioxine ring are disordered over two sites with an occupancy ratio of 0.463 (18):0.537 (18), and both disordered components of the dihydro­dioxine ring adopt twisted-chair conformations. An intra­molecular O—H⋯O hydrogen bond and weak inter­molecular C—H⋯O hydrogen bonds are present in the crystal structure.
doi:10.1107/S160053681100924X
PMCID: PMC3100013  PMID: 21754185
19.  Crystal structure of (E)-3-(2,4-di­meth­oxy­phen­yl)-1-(1-hy­droxy­naphthalen-2-yl)prop-2-en-1-one 
In the title compound, C21H18O4, the C=C bond of the central enone group adopts an E conformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 6.60 (2)°. The meth­oxy groups on the benzene ring are essentially coplanar with the ring; the C—C—O—C torsion angles being 1.6 (2) and −177.1 (1)°. The hy­droxy group attached to the naphthalene ring is involved in an intra­molecular O—H⋯O hydrogen bond. The relative conformation of the two double bonds in the enone group is s-cisoid. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into chains propagating along [010].
doi:10.1107/S1600536814018704
PMCID: PMC4186154  PMID: 25309211
crystal structure; chalcone; enone; benzochalcone; naphthalene
20.  Methyl 11-hy­droxy-9-[1-(4-meth­oxy­phen­yl)-4-oxo-3-phen­oxy­azetidin-2-yl]-18-oxo-10-oxa-2-aza­penta­cyclo­[9.7.0.01,8.02,6.012,17]octa­deca-12(17),13,15-triene-8-carboxyl­ate 
In the title compound, C34H32N2O8, one of the pyrrolidine rings in the pyrrolizidine ring system adopts a twist conformation, whereas the other ring adopts an envelope conformation (C atom as flap). The five-membered ring in the indene ring system and the fused furan ring also adopt envelope conformations (C and O atoms as flaps, respectively). The β-lactam ring makes dihedral angles of 23.41 (2) and 25.98 (2)°, respectively, with the attached meth­oxy­phenyl and phen­oxy rings. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond, generating an S(5) motif. In the crystal, mol­ecules are linked into C(12) chains running along the a axis by C—H⋯O hydrogen bonds. The structure is further consolidated by weak inter­molecular C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.7987 (14) Å].
doi:10.1107/S1600536812027341
PMCID: PMC3393998  PMID: 22798863
21.  (2-Hy­droxy-7-meth­oxy­naphthalen-1-yl)(phen­yl)methanone 
In the mol­ecule of the title compound, C18H14O3, there is an intra­molecular O—H⋯O=C hydrogen bond between the carbonyl and hy­droxy groups on the naphthalene ring system. The angles between the C=O bond vector and the least-squares planes of the naphthalene ring system and the phenyl ring are 30.58 (6) and 42.82 (7)°, respectively, while the dihedral angle between the naphthalene ring system and the phenyl ring is 58.65 (5)°. In the crystal, mol­ecules are connected by pairs of inter­molecular O—H⋯O=C hydrogen bonds, forming centrosymmetric dimers.
doi:10.1107/S1600536810038547
PMCID: PMC2983170  PMID: 21587645
22.  2-[(E)-2-(4-Hy­droxy-3-meth­oxy­phen­yl)ethen­yl]-1-methylpyridinium 4-bromo­benzene­sulfonate monohydrate 
The title salt crystallized as the monohydrate C15H16NO2 +·C6H4BrSO3 −·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy­droxy and meth­oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth­yl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π inter­actions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol­ecules are linked by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536813031917
PMCID: PMC3885091  PMID: 24454267
23.  meso-5,10,15,20-Tetra­kis(4-hy­droxy-3-meth­oxy­phen­yl)porphyrin propionic acid monosolvate 
In the title compound, C48H38N4O8·C3H6O2, the porphyrin mol­ecule is centrosymmetric. The propionic acid solvent mol­ecule is disordered over two sets of sites with equal occupancy factors. The porphyrin central core is almost planar, with an r.m.s. deviation of the fitted atoms of 0.045 Å. The substituent benzene rings make dihedral angles of 70.37 (4) and 66.95 (4)° with respect to the porphyrin core plane. The crystal structure is stabilized by an inter­esting network of hydrogen bonds. Porphyrin mol­ecules are connected by O—H⋯O hydrogen bonds creating ribbons running along the [101] direction. Weak C—H⋯O hydrogen bonds connect separate mol­ecular ribbons in the [110] direction, creating (-111) layers. Intra­molecular N—H⋯N hydrogen bonds also occur. The propionic acid molecules are connected by pairs of —H⋯O hydrogen bonds, creating dimers.
doi:10.1107/S1600536812036495
PMCID: PMC3435825  PMID: 22969671
24.  (2-Hy­droxy-7-meth­oxy­naphthalen-1-yl)(4-methyl­phen­yl)methanone 
In the title compound, C19H16O3, an intra­molecular O—H⋯O=C hydrogen bond is formed between the hy­droxy and carbonyl groups on the naphthalene ring system, resulting in an S(6) ring. The angles between the C=O bond vector and the least-squares planes of the naphthalene ring system and the benzene ring are 27.63 (6) and 47.99 (7)°, respectively. The dihedral angle between the latter planes is 61.39 (5)°. In the crystal, two mol­ecules are connected by pairs of inter­molecular O—H⋯O=C hydrogen bonds, forming centrosymmetric dimers with an R 2 2(4) graph-set motif. The mol­ecular packing features C—H⋯π interactions.
doi:10.1107/S1600536810040614
PMCID: PMC3009359  PMID: 21589009
25.  9α-Hy­droxy-12-{[4-(4-meth­oxy­phen­yl)piperazin-1-yl]meth­yl}-4,8-dimethyl-3,14-dioxatricyclo­[9.3.0.02,4]tetra­dec-7-en-13-one 
The title compound, C26H36N2O5, was synthesized from 9α-hy­droxy­parthenolide (9α-hy­droxy-4,8-dimethyl-12-methyl­ene-3,14-dioxatricyclo­[9.3.0.02,4]tetra­dec-7-en-13-one), wich was isolated from the chloro­form extract of the aerial parts of Anvillea radiata. The mol­ecule is built up from fused five- and ten-membered rings with the meth­oxy­phenyl­piperazine group as a substituent. The ten-membered ring adopts an approximate chair–chair conformation, while the piperazine ring displays a chair conformation and the five-membered ring a flattened envelope conformation; the C(H)—C—C(H) atoms representing the flap lie out of the mean plane through the remaining four atoms by 0.343 (3) Å. The dihedral angle between the mean planes of the ten-membered ring and the lactone ring is 18.12 (14)°. An intra­molecular O—H⋯N hydrogen bond occurs. The crystal structure features weak C—H⋯O inter­actions.
doi:10.1107/S1600536812003662
PMCID: PMC3297315  PMID: 22412505

Results 1-25 (114590)