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1.  (4-Chloro­phen­yl)(3,6-dibromo-2-hy­droxy-7-meth­oxy-1-naphth­yl)methanone 
The asymmetric unit of the title compound, C18H11Br2ClO3, contains two crystallographically independent mol­ecules in which the dihedral angles between the naphthalene ring systems and the benzene rings are 55.64 (11) and 60.50 (11)°. In each mol­ecule, an intra­molecular O—H⋯O=C hydrogen bond generates a six-membered ring. In the crystal structure, inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds and two different Br⋯O halogen bonds [2.9850 (19) and 3.2169 (19) Å] are observed.
doi:10.1107/S1600536810023299
PMCID: PMC3007072  PMID: 21587976
2.  (E)-2,2′-[3-(4-Chloro­phen­yl)prop-2-ene-1,1-di­yl]bis­(3-hy­droxy-5,5-di­methyl­cyclo­hex-2-en-1-one) 
The title compound, C25H29ClO4, adopts a trans conformation about the C=C double bond and the di­methyl­cyclo­hexenone rings both show an envelope conformation with the dimethyl-substituted C atom as the flap. In the mol­ecule, the hy­droxy and carbonyl groups form two intra­molecular O—H⋯O hydrogen bonds typical for xanthene derivatives. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into chains running parallel to the a-axis direction.
doi:10.1107/S1600536813020357
PMCID: PMC3793826  PMID: 24109413
3.  2-[(4-Chloro­phen­yl)(2-hy­droxy-5-oxo­cyclo­pent-1-en-1-yl)meth­yl]-3-hy­droxy­cyclo­pent-2-en-1-one 
There are two mol­ecules in the asymmetric unit of the title compound, C17H15ClO4, in which the dihedral angles between the five-membered rings are 57.3 (1) and 51.4 (1)°. An intra­molecular O—H⋯O hydrogen bond occurs in each mol­ecule. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds link the moleclues into chains along the b axis.
doi:10.1107/S1600536812018715
PMCID: PMC3379264  PMID: 22719462
4.  (E)-3-(4-Chloro­phen­yl)-1-(5-hy­droxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one 
There are two independent mol­ecules in the asymmetric unit of the title compound, C20H17ClO3, each having an E configuration about the –C=C– bond. The dihedral angles between the two benzene rings in the two mol­ecules are 7.17 (11) and 9.82 (11)°. In both mol­ecules, the hy­droxy group is involved in an intra­molecular O—H⋯O hydrogen bond.
doi:10.1107/S1600536811055255
PMCID: PMC3274975  PMID: 22346920
5.  2-[(2-Chloro­phen­yl)(hy­droxy)meth­yl]phenol 
In the title compound, C13H11ClO2, the dihedral angle between the mean planes of the 2-chloro­phenyl and phenol rings is 87.4 (9)°. The methyl hy­droxy group lies nearly perpendicular to the plane of its attached benzene ring [O—C—C—C torsion angle = 84.3 (3)°]. The two hy­droxy groups lie on the same side of the mol­ecule and are in a slightly twisted gauche conformation [O—C—C—O torsion angle = 77.1 (8)°] to each other. In the crystal, O—H⋯O hydrogen bonds between nearby methyl­hydroxy groups form dimers in alternating pairs aligned diagonally along the b axis. A view along the c axis reveals a hexa­meric aggregate mediated by a ring of six O—H⋯O hydrogen bonds generating an R 6 6(12) motif loop.
doi:10.1107/S1600536813018667
PMCID: PMC3793743  PMID: 24109330
6.  6-(2-Chloro­benz­yl)-1-(4-chloro­phen­yl)-7-hy­droxy-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one 
The title compound, C19H15Cl2N3O2, was obtained by a one-step cyclo­condensation of 2-amino-1-(4-chloro­phen­yl)imidazoline with diethyl (2-chloro­benz­yl)malonate under basic conditions. In the crystalline state, the mol­ecule exists as the 7-hy­droxy-5-oxo tautomer. The dihedral angles between the fused imidazopyrimidine and aromatic chloro­phenyl and chloro­benzyl rings are 14.2 (1) and 70.7 (1)°, respectively. The conformation of the mol­ecule is influenced by the intra­molecular C—H⋯O and C—H⋯N hydrogen bonds, giving a nearly planar five-ring fused system [maximum deviation from the mean plane = 0.296 (2) Å]. In the crystal structure, strong inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into chains along the c axis. These chains are further stabilized by weak C—H⋯Cl and π–π inter­actions [centroid–centroid distance = 3.6707 (12) Å].
doi:10.1107/S160053681003919X
PMCID: PMC3009369  PMID: 21588948
7.  (3-Chloro­phen­yl){2-eth­oxy-5-[(Z)-hydroxy(phen­yl)methyl­idene]cyclo­penta-1,3-dien-1-yl}methanone 
The title compound, C21H17ClO3, which crystallizes as one of two possible oxo/hy­droxy-fulvene prototropic tautomers, possesses a strong intra­molecular O—H⋯O hydrogen bond that closes a seven-membered ring. The dihedral angles between the central five-membered ring and two pendant rings are 55.05 (9) and 44.51 (10)°. The crystal packing is characterized by weak inter­molecular C—H⋯O inter­actions between an H atom of the oxymethyl­ene unit and the carbonyl group of an adjacent mol­ecule, resulting in formation of chains of mol­ecules along the a axis.
doi:10.1107/S1600536811055279
PMCID: PMC3275002  PMID: 22346947
8.  1-(4-Chloro­phen­yl)-2-[4-hy­droxy-3-(3-meth­oxy­benzo­yl)-1,1-dioxo-2H-1λ6,2-benzothia­zin-2-yl]ethanone 
In the title mol­ecule, C24H18ClNO6S, the heterocyclic thia­zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.406 (5) and 0.444 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The meth­oxy­benzoyl and the chloro­phenyl rings lie roughly parallel to each other, with a dihedral angle between the mean planes of these rings of 8.86 (10)°. The mol­ecular structure is consolidated by intra­molecular O—H⋯O and C—H⋯O inter­actions and the crystal packing is stabilized by inter­molecular O—H⋯O and C—H⋯Cl hydrogen bonds.
doi:10.1107/S160053681201029X
PMCID: PMC3344017  PMID: 22589926
9.  1-(4-Chloro­butano­yl)-3-(2-chloro­phen­yl)thio­urea 
The asymmetric unit of the title compound, C11H12Cl2N2OS, contains two crystallographically independent mol­ecules with different conformations: the benzene ring and the thio­urea fragment form dihedral angles of 74.32 (11) and 89.39 (11)°. One amino group in each mol­ecule is involved in intra­molecular N—H⋯O and inter­molecular N—H⋯O hydrogen bonding: the latter links pairs of independent mol­ecules into dimers. In the crystal, weak N—H⋯S inter­actions link these dimers into chains propagating along the c axis.
doi:10.1107/S160053681201759X
PMCID: PMC3344638  PMID: 22590400
10.  3-[4-Amino-3-(4-methyl­phen­yl)-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-3-(2-chloro­phen­yl)-1-phenyl­propan-1-one 
In the title mol­ecule, C24H21ClN4OS, the 1,2,4-triazole ring forms dihedral angles of 37.2 (2), 71.9 (2) and 84.9 (2) ° with the three benzene rings. In the crystal, weak inter­molecular N—H⋯S hydrogen bonds link the mol­ecules into centrosymmetric dimers.
doi:10.1107/S1600536811023993
PMCID: PMC3151860  PMID: 21837166
11.  1-[5-(4-Chloro­phen­yl)-3-(4-hy­droxy­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]­ethanone 
In the title compound, C17H15ClN2O2, the benzene rings form dihedral angles of 89.56 (5) and 5.87 (5)° with the mean plane of the pyrazoline ring (r.m.s. deviation = 0.084 Å). The dihedral angle between the two benzene rings is 87.57 (5)°. In the crystal, mol­ecules are linked by O—H⋯O and C—H⋯O hydrogen bonds into a helical chain along the c axis. Between the chains weak C—H⋯N and C—H⋯O inter­actions are present. The crystal studied was an inversion twin with a domain ratio of 0.72 (4):0.28 (4).
doi:10.1107/S1600536812006885
PMCID: PMC3297879  PMID: 22412682
12.  4-Chloro-N′-(3,5-dibromo-2-hy­droxy­benzyl­idene)benzohydrazide 
The asymmetric unit of the title compound, C14H9Br2ClN2O2, contains two independent mol­ecules. Both mol­ecules adopt an E configuration about the C=N bond. The dihedral angles between the benzene rings are 30.0 (2) and 51.6 (2)° in the two mol­ecules. In the crystal, mol­ecules are linked through N—H⋯O hydrogen bonds, forming chains along the b axis. In addition, there is an intra­molecular O—H⋯N hydrogen bond in each mol­ecule.
doi:10.1107/S1600536812009786
PMCID: PMC3344145  PMID: 22606148
13.  3-Chloro-N′-(3,5-dibromo-2-hy­droxy­benzyl­idene)benzohydrazide methanol monosolvate 
The title Schiff base compound, C14H9Br2ClN2O2·CH3OH, features an intra­molecular O—H⋯N hydrogen bond, which contributes to the planarity of the mol­ecule: the dihedral angle between the two benzene rings is 4.6 (2)°. In the crystal, pairs of adjacent mol­ecules are linked through inter­molecular N—H⋯O and O—H⋯O hydrogen bonds, forming dimers. The methanol solvent mol­ecule is linked by inter­molecular O—H⋯O hydrogen bonds.
doi:10.1107/S1600536811000742
PMCID: PMC3051720  PMID: 21523014
14.  3-(3-Chloro-2-hy­droxy­phen­yl)-1-phenyl-1H-pyrazole-4-carbaldehyde 
In the title compound, C16H11ClN2O2, the pyrazole ring makes dihedral angles of 11.88 (13) and 22.33 (13)° with the 3-chloro-2-hy­droxy­benzene group and phenyl rings, respectively. The phenolic hy­droxy group forms an intra­molecular O—H⋯N hydrogen bond with the imine N atom of the pyrazole unit. The formyl group is virtually coplanar with the pyrazole ring [dihedral angle = 4.5 (19)°] and acts as an acceptor in an intra­molecular C—H⋯O hydrogen bond closing seven-membered ring. In the crystal, adjacent mol­ecules are linked through C—H⋯O hydrogen bonds into infinite chains along the b axis.
doi:10.1107/S1600536811038025
PMCID: PMC3201353  PMID: 22058800
15.  2-[(E)-(3-Carb­oxy-4-hy­droxy­phen­yl)iminiometh­yl]-4-chloro­phenolate 
The title Schiff base compound, C14H10ClNO4, has been synthesized by the reaction of 5-amino-2-hy­droxy­benzoic acid and 5-chloro-2-hy­droxy­benzaldehyde. The mol­ecule is a zwitterion in the crystal, with the phenolic hy­droxy group deprotonated and the imine N atom protonated. It adopts an E configuration about the central C=N double bond. The dihedral angle between the two benzene rings is 3.83 (7)°. Intra­molecular N—H⋯O and O—H⋯O hydrogen bonding generates S(6) ring motifs. In the crystal, mol­ecules are connected by inter­molecular O—H⋯O and C—H⋯Cl hydrogen bonds, forming a supra­molecular chain.
doi:10.1107/S1600536810033362
PMCID: PMC3007861  PMID: 21588784
16.  2,3-Dibromo-1-(4-chloro­phen­yl)-3-(5-nitro-2-fur­yl)propan-1-one 
In the title compound, C13H8Br2ClNO4, the linking –CHBr–CHBr– fragment is disordered over two orientations with refined site occupancies of 0.512 (11) and 0.488 (11). The dihedral angle between the furan ring and the phenyl ring is 21.86 (16)°. In the crystal, the mol­ecules are linked into [011] chains by inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810046829
PMCID: PMC3011530  PMID: 21589511
17.  (E)-3-(4-Chloro­phen­yl)-1-(2-fur­yl)prop-2-en-1-one 
In the title mol­ecule, C13H9ClO2, the benzene and furyl rings are slightly twisted from each other with a dihedral angle of 5.1 (1)°. An intra­molecular C—H⋯O hydrogen-bond inter­action generates an S(5) ring motif. In the crystal structure, mol­ecules are stacked along the b axis and the crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536808021934
PMCID: PMC2962155  PMID: 21203235
18.  (2E)-3-(4-Chloro­phen­yl)-1-(4-hy­droxy­phen­yl)prop-2-en-1-one 
In the title compound, C15H11ClO2, the dihedral angle between the mean planes of the chloro­benzene and hy­droxy­benzene rings is 6.5 (6)°. The mean plane of the prop-2-en-1-one group makes an angle of 18.0 (1)° with the hy­droxy­phenyl ring and 11.5 (1)° with the chloro­phenyl ring. The crystal packing is stabilized by inter­molecular O—H⋯O hydrogen bonds, weak C—H⋯O, C—H⋯π and π–π stacking inter­actions [centroid–centroid distances = 3.7771 (7) and 3.6917 (7) Å].
doi:10.1107/S160053681100701X
PMCID: PMC3099984  PMID: 21754053
19.  2-(4-Chloro­phen­yl)-2-oxoethyl 4-hy­droxy­benzoate 
The title compound, C15H11ClO4, consists of a chloro­benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro­benzene and phenol rings is 65.70 (11)°. In the crystal, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into chains along [010].
doi:10.1107/S1600536811037500
PMCID: PMC3201459  PMID: 22065030
20.  3-(2-Chloro­phen­yl)-4-hy­droxy­furan-2(5H)-one 
In the title mol­ecule, C10H7ClO3, the butyrolactone core, a furan-2(5H)-one, forms a dihedral angle of 59.21 (5)° with the benzene ring. In the crystal, two types of hydrogen bonds (O—H⋯O and C—H⋯Cl) link mol­ecules into infinite chains along the b axis. π–π contacts [centroid–centroid distances = 3.6359 (10) and 3.8776 (11) Å] link the chains into a three-dimensional network.
doi:10.1107/S1600536811048641
PMCID: PMC3239062  PMID: 22199910
21.  N-(3-Chloro­phen­yl)-2-hy­droxy­benzamide 
In the title compound, C13H10ClNO2, the dihedral angle between the aromatic rings is 5.57 (9)° and intra­molecular N—H⋯O and C—H⋯O hydrogen bonds both generate S(6) rings. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds into C(6) chains propagating along [010]. Mol­ecules from neighbouring chains along the z axis are involved in C—H⋯π and π–π stacking inter­actions [centroid–centroid distance = 3.9340 (10) Å].
doi:10.1107/S1600536810045046
PMCID: PMC3011749  PMID: 21589406
22.  {5-Chloro-2-[(2-hy­droxy­benzyl­idene)amino]­phen­yl}(phen­yl)methanone 
The title Schiff base compound, C20H14ClNO2, adopts an E configuration about the azomethine bond. The phenol and chloro­benzene rings form dihedral angles of 84.71 (9) and 80.70 (8)°, respectively, with the phenyl ring and are twisted by 15.32 (8)° with respect to one another. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond, which forms an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming columns parallel to the a axis.
doi:10.1107/S1600536811048690
PMCID: PMC3239075  PMID: 22199923
23.  9-(3-Bromo-5-chloro-2-hy­droxy­phen­yl)-10-(2-hy­droxy­eth­yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione 
In the title compound, C21H21BrClNO4, the dihydro­pyridine ring adopts a flattened boat conformation. The 3-bromo-5-chloro-2-hy­droxy­phenyl ring forms a dihedral angles of 84.44 (7)° with the dihydro­pyridine mean plane. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, with an S(8) ring motif. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules, forming a three-dimensional network.
doi:10.1107/S1600536812050222
PMCID: PMC3588342  PMID: 23476467
24.  N-(4-Chloro­phen­yl)-2,2-diphenyl­acetamide 
In the title compound, C20H16ClNO, an S(6) ring motif is formed via an intra­molecular C—H⋯O hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, mol­ecules are linked into chains parallel to the c axis by inter­molecular N—H⋯O hydrogen bonds. The crystal packing also features weak C—H⋯π inter­actions involving the chloro-substituted ring.
doi:10.1107/S1600536812032965
PMCID: PMC3414999  PMID: 22904986
25.  (E)-3-(2-Chloro­phen­yl)-1-(2-fur­yl)prop-2-en-1-one 
The title compound, C13H9ClO2, adopts an E configuration with respect to the C=C double bond of the propenone unit. The benzene and furyl rings are twisted slightly from each other, making a dihedral angle of 6.47 (7)°. Intra­molecular C—H⋯O and C—H⋯Cl hydrogen bonds generate an S(5)S(5)S(5) ring motif. In the crystal structure, mol­ecules are stacked along the b axis and weak inter­molecular C—H⋯O hydrogen bonds are observed.
doi:10.1107/S1600536808020965
PMCID: PMC2962097  PMID: 21203181

Results 1-25 (292378)