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1.  N-(3-Chloro-4-fluoro­phen­yl)-2,2-diphenyl­acetamide 
In the title compound, C20H15ClFNO, the dihedral angles between the mean planes of the acetamide group and the chloro­fluoro-substituted benzene ring and the two phenyl rings are 10.8 (8), 81.9 (7) and 85.8 (5)°, respectively. The crystal packing is stabilized by N—H⋯O hydrogen bonds and weak C—H⋯O inter­molecular inter­actions, forming infinite chains along the c axis.
doi:10.1107/S1600536811036075
PMCID: PMC3201262  PMID: 22058752
2.  Bis{[μ-bis­(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[tris­(4-chloro­phen­yl)phosphine-3κP]-triangulo-triruthenium(0)} chloro­form monosolvate 
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3, consists of two mol­ecules (A and B) of the triangulo-triruthenium complex and one mol­ecule of chloro­form solvent. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphine-substituted benzene rings make dihedral angles of 73.5 (3), 57.2 (3) and 75.7 (3)° with each other in mol­ecule A, while these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in mol­ecule B. The dihedral angles between the two benzene rings are 87.3 (3) and 89.6 (3)° for the two diphenyl­arsino groups in mol­ecule A and 85.6 (3) and 87.7 (3)° in mol­ecule B. In the crystal packing, the mol­ecules are linked into a three-dimensional framework via inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions furture stabilize the crystal structure. The crystal studied was an inversion twin, the refined ratio of twin components being 0.480 (7):0.520 (7).
doi:10.1107/S1600536809053884
PMCID: PMC2980153  PMID: 21579981
3.  2-Chloro-N-[4-chloro-2-(2-chloro­benzo­yl)phen­yl]acetamide 
In the title compound, C15H10Cl3NO2, an intra­molecular N—H⋯O hydrogen bond forms a six-membered ring and enforces an almost coplanar conformation for the acetamido group, the central benzene ring and the bridging carbonyl C—C(=O)—C group: the dihedral angles between the benzene ring and the acetamide and carbonyl C—C(=O)—C planes are 7.06 (11) and 7.17 (12)°, respectively. The dihedral angle between the two benzene rings is 67.43 (9)°. Because a strong hydrogen-bond donor is involved in the intra­molecular inter­action, the crystal packing is determined by weak C—H⋯O and C—H⋯Cl inter­actions.
doi:10.1107/S1600536810003375
PMCID: PMC2979893  PMID: 21579901
4.  N-[(2,6-Di­ethyl­phen­yl)carbamo­thio­yl]-2,2-di­phenyl­acetamide 
In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38 (9) and 55.32 (9)° with the terminal benzene rings. The mol­ecule adopts a trans–cis conformation with respect to the orientations of the di­phenyl­methane and 1,3-di­ethyl­benzene groups with respect to the S atom across the C—N bonds. This conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N—H⋯S hydrogen bonds link the mol­ecules into inversion dimers, forming R 2 2(6) loops. The dimer linkage is reinforced by a pair of C—H⋯S hydrogen bonds, which generate R 2 2(8) loops. Weak C—H⋯π and π–π [centroid–centroid seperation = 3.8821 (10) Å] inter­actions also occur in the crystal structure.
doi:10.1107/S1600536813013354
PMCID: PMC3685105  PMID: 23795124
5.  N-(2,4-Dimethyl­phen­yl)-2,2-diphenyl­acetamide 
The asymmetric unit of the title compound, C22H21NO, consists of two crystallographically independent mol­ecules (A and B). Each mol­ecule contains two benzene rings and one dimethyl­benzene ring. The dihedral angle between the two benzene rings is 87.75 (16)° in mol­ecule A and 89.25 (16)° in mol­ecule B. In mol­ecule A, the dimethyl­benzene ring forms dihedral angles of 89.65 (8) and 42.98 (11)° with the two benzene rings, whereas the corresponding angles are equal to 63.15 (7) and 58.67 (10)° in mol­ecule B. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif in each mol­ecule. In the crystal, mol­ecules are linked by bifurcated (N,C)—H⋯O hydrogen bonds, generating R 2 1(6) ring motifs and forming infinite chains along the a axis. The crystal is further stabilized by C—H⋯π and π–π inter­actions with centroid–centroid distances of 3.8543 (18) and 3.930 (2) Å.
doi:10.1107/S1600536812014079
PMCID: PMC3344457  PMID: 22590219
6.  N-[(3-Ethyl­phen­yl)carbamo­thio­yl]-2,2-di­phenyl­acetamide 
In the title mol­ecule, C23H22N2OS, the di­phenyl­acetyl and ethyl­benzene groups adopt a trans–cis conformation, respectively, with respect to the S atom across the (S=)C—N bonds. This conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond and a weak C—H⋯S hydrogen bond. The ethyl-substituted benzene ring forms dihedral angles of 87.53 (15) and 73.94 (15)° with the phenyl rings. In the crystal, N—H⋯O hydrogen bonds link mol­ecules into chains along [100]. A weak C—H⋯π inter­action is also observed.
doi:10.1107/S1600536813014268
PMCID: PMC3772456  PMID: 24046599
7.  N-(2-Chloro­phen­yl)-2-({5-[4-(methyl­sulfan­yl)benz­yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfan­yl)acetamide 
In the title mol­ecule, C24H21ClN4OS2, the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9), 86.66 (9) and 82.70 (10)° with the chloro-substituted benzene ring, the methyl­sulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol­ecules are linked into sheets parallel to (100) by inter­molecular N—H⋯N and weak C—H⋯O hydrogen bonds.
doi:10.1107/S1600536811027565
PMCID: PMC3213509  PMID: 22091088
8.  N-(4-Chloro­phen­yl)-2-(hydroxy­imino)acetamide 
The title compound, C8H7ClN2O2, is an inter­mediate in the synthesis of 5-chloro­isatin, which can be further transformed to 5-chloro-2-indolinone via a Wolff–Kishne reduction. The C2N acetamide plane forms a dihedral angle of 6.3 (3)° with the benzene ring. An intra­molecular C—H⋯O inter­action results in the formation of a six-membered ring. In the crystal, inter­molecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds link the mol­ecules into multimers, forming sheets.
doi:10.1107/S1600536809033315
PMCID: PMC2969878  PMID: 21577646
9.  (2E)-1-(3-Chloro­phen­yl)-3-(4-chloro­phen­yl)prop-2-en-1-one 
The title compound, C15H10Cl2O, is a chalcone with 3-chloro­phenyl and 4-chloro­phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The dihedral angle between mean planes of these two chloro-substituted benzene rings is 46.7 (7)° compared to 46.0 (1) and 32.4 (1)° in similar published sructures. The angles between the mean plane of the prop-2-en-1-one group and the mean planes of the 3-chloro­phenyl and 4-chloro­phenyl rings are 24.1 (2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak inter­molecular C—H⋯π-ring inter­actions are observed, which contribute to the stability of crystal packing.
doi:10.1107/S1600536809037805
PMCID: PMC2971255  PMID: 21578256
10.  N-(3,4-Difluoro­phen­yl)-2,2-diphenyl­acetamide 
In the title compound, C20H15F2NO, the mean plane of the acetamide group makes dihedral angles of 88.26 (6), 78.30 (7) and 9.83 (6)° with the two terminal benzene rings and difluoro-substituted benzene ring, respectively. One F atom is disordered over two orientations rotated by 180°, with a site-occupancy ratio of 0.557 (2):0.443 (2). An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked via N—H⋯O hydrogen bonds into chains along the c axis. The crystal structure is further consolidated by C—H⋯π inter­actions.
doi:10.1107/S1600536812014675
PMCID: PMC3344483  PMID: 22590245
11.  2-[2-(3-Chloro­phen­yl)-2-oxoeth­yl]-4-hy­droxy-3-(3-meth­oxy­benzo­yl)-2H-1λ6,2-benzothia­zine-1,1-dione 
In the title mol­ecule, C24H18ClNO6S, the heterocyclic thia­zine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothia­zin unit and meth­oxy­benzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chloro­phenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The mol­ecular structure is consolidated by intra­molecular O—H⋯O and C—H⋯N inter­actions and the crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536812009014
PMCID: PMC3343952  PMID: 22590033
12.  N-(4-Chloro­phen­yl)-2-(8-quinol­yloxy)acetamide monohydrate 
In the title compound, C17H13ClN2O2·H2O, the dihedral angle between the quinoline ring system and the benzene ring is 13.0 (1)°. An intra­molecular N—H⋯O hydrogen bond may influence the mol­ecular conformation. In the crystal structure, acetamide mol­ecules are linked to water mol­ecules via inter­molecular O—H⋯ N and N—H⋯O hydrogen bonds and in turn linked into chains along [010] via O—H⋯O hydrogen bonds.
doi:10.1107/S1600536810026206
PMCID: PMC3007349  PMID: 21588294
13.  N-[(4-Chloro­phen­yl)sulfon­yl]acetamide 
The asymmetric unit of the title compound, C8H8ClNO3S, consists of two crystallographically independent mol­ecules (A and B). The dihedral angles between the benzene ring and amide C—C(=O)—NH– plane are 87.6 (3) (mol­ecule A) and 86.0 (3)° (mol­ecule B). In the crystal, the independent mol­ecules are alternately linked by N—H⋯O hydrogen bonds into an infinite chain along the b axis. Short inter­molecular Cl⋯Cl contacts [3.2882 (5) and 3.2812 (5) Å] are also observed.
doi:10.1107/S1600536812033764
PMCID: PMC3435654  PMID: 22969527
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.  2,2-Diphenyl­acetamide 
In the title compound, C14H13NO, which has two mol­ecules in the asymmetric unit, the dihedral angles between the mean planes of the benzene rings are 84.6 (7) and 85.0 (6)°. N—H⋯O hydrogen bonds [forming R 2 2(8) ring motifs] and C—H⋯O hydrogen bonds dominate the crystal packing, forming zigzag chains parallel to the a axis. In addition, weak inter­molecular C—H⋯π inter­actions are observed.
doi:10.1107/S1600536811026717
PMCID: PMC3213448  PMID: 22091027
16.  (E)-3-(2-Chloro­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one 
The title compound, C15H10Cl2O, adopts an E configuration with respect to the C=C bond of the propenone unit. The dihedral angle between the two benzene rings is 32.4 (1)°. Intra­molecular C—H⋯O and C—H⋯Cl hydrogen bonds generate an S(5)S(5)S(5) motif. In addition, the crystal structure is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536808015420
PMCID: PMC2961505  PMID: 21202683
17.  N-(2-Chloro­phen­yl)-2-(4,6-dimethyl­pyrimidin-2-ylsulfan­yl)acetamide 
In the title compound, C14H14ClN3OS, the 4,6-dimethyl­pyrimidine ring and the chloro­benzene ring subtend a dihedral angle of 80.0 (2)°. The length of the Csp 2—S bond is significantly shorter than that of the Csp 3—S bond. The crystal structure is stabilized by inter­molecular N—H⋯O, C—H⋯O and C—H⋯N hydrogen bonding, and C—H⋯π inter­actions.
doi:10.1107/S1600536809011520
PMCID: PMC2977659  PMID: 21584002
18.  1-[2-(Carboxy­meth­oxy)phen­yl]-N-(4-chloro­phen­yl)methanimine oxide1  
In the title resonance conformer, C15H12ClNO4, the central C–N bond [1.297 (2) Å] has considerable double-bond character and the N–O bond [1.3215 (18) Å] indicates formal negative charge on the oxygen atom. Considerable deviations from co-planarity are evident in the mol­ecule, with both benzene rings twisted out of the central C–C–N–C plane [the dihedral angle formed between the rings = 81.99 (8)°]. Similarly, the carboxylic acid residue occupies a position almost normal to the plane of the benzene ring to which it is connected [C—C—O—C torsion angle = −78.42 (17)°]. The most prominent inter­molecular inter­actions involve the carboxylic acid the N+–O− residues with the O—H⋯O hydrogen bonds leading to helical supra­molecular chains along the b axis. These chains are connected into layers via C–H⋯Ocarbon­yl inter­actions and the layers are consolidated into the crystal structure by C–H⋯Cl contacts.
doi:10.1107/S160053680905137X
PMCID: PMC2980074  PMID: 21580149
19.  2,3-Dibromo-3-(4-chloro­phen­yl)-1-(2-hy­droxy­phen­yl)propan-1-one 
In the title mol­ecule, C15H11Br2ClO2, an S(6) ring motif is formed via an intra­molecular O—H⋯O hydrogen bond. The dihedral angle formed between the chloro- and hy­droxy-substituted benzene rings is 34.10 (15)°. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains along the c axis.
doi:10.1107/S1600536811036798
PMCID: PMC3201456  PMID: 22064869
20.  N′-[(E)-1-(4-Chloro­phen­yl)ethyl­idene]-2-[4-(2-methyl­prop­yl)phen­yl]propano­hydrazide 
The asymmetric unit of the title compound, C21H25ClN2O, contains four crystallographically independent mol­ecules, which differ mainly in the orientation of the isobutyl groups. The benzene rings are almost orthogonal to each other, forming dihedral angles of 87.40 (6), 88.69 (6), 84.88 (6) and 85.12 (6)° in the four mol­ecules. The crystal structure is stabilized by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds, together with C—H⋯π inter­actions.
doi:10.1107/S1600536808039226
PMCID: PMC2967938  PMID: 21581626
21.  (Z)-3-(4-Chloro­phen­yl)-2-{[N-(2-formyl­phen­yl)-4-methyl­benzene­sulfonamido]­meth­yl}prop-2-ene­nitrile 
In the title compound, C24H19ClN2O3S, the sulfonyl-bound benzene ring forms dihedral angles of 38.1 (2) and 81.2 (1)°, respectively, with the formyl benzene and benzene rings. The mol­ecular conformation is stabilized by a weak intra­molecular C—H⋯O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C—H⋯O hydrogen bonds, which generate C(7) zigzag chains along [010] and R 3 3(19) ring motifs along [010]. The crystal packing is further stabilized by C—Cl⋯π inter­actions [Cl⋯centroid = 3.456 (2) Å and C—Cl⋯centroid = 173.4 (2)°].
doi:10.1107/S160053681105241X
PMCID: PMC3254413  PMID: 22259557
22.  Crystal structure of dimethyl 3,3′-[(4-chloro­phen­yl)methyl­ene]bis­(1H-indole-2-carboxyl­ate) 
In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming inversion dimers, which are linked by a further N—H⋯O hydrogen bond, forming chains along [100]. There are intra- and inter­molecular C—H⋯π inter­actions present, the latter linking the chains to form a three-dimensional supra­molecular structure.
In the title compound, C27H21ClN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.021 and 0.024 Å) are approximately perpendicular to one another, with a dihedral angle of 79.54 (12)°. The benzene ring is twisted with respect to the mean planes of the two indole ring systems at angles of 80.14 (15) and 86.30 (15)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming inversion dimers with an R 2 2(18) ring motif. The dimers are linked by a further N—H⋯O hydrogen bond, forming chains along [100]. There are intra- and inter­molecular C—H⋯π inter­actions present, the latter linking the chains to form a three-dimensional supra­molecular structure.
doi:10.1107/S1600536814020686
PMCID: PMC4257187  PMID: 25484668
crystal structure; indole; bis-indolymethane; MRI contrast agent; N—H⋯O hydrogen bonds; C—H⋯π inter­actions
23.  2-[2-(3-Chloro­phen­yl)-2-oxoeth­yl]-1,2-benzisothia­zol-3(2H)-one 1,1-dioxide 
In the title compound, C15H10ClNO4S, the benzothia­zole ring system is essentially planar [maximum deviation = 0.0382 (13) Å for the N atom] and forms a dihedral angle of 74.43 (6)° with the chloro-substituted benzene ring. In the crystal structure, weak inter­molecular C—H⋯O hydrogen bonds form R 2 2(10) and R 2 2(16) ring motifs
doi:10.1107/S1600536810005428
PMCID: PMC2983590  PMID: 21580375
24.  2-[2-(2-Chloro­phen­yl)-2-oxoeth­yl]-2,3-dihydro-1λ6,2-benzothia­zole-1,1,3-trione 
The asymmetric unit of the title compound, C15H10ClNO4S, contains two independent conformers wherein the 2-chloro­phenyl group in one is rotated by approximately 180° compared to the other mol­ecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158.7 (2)° in one mol­ecule and −104.3 (2) and −173.4 (2)° in the other. The benzisothia­zole ring systems in the two mol­ecules are essentially planar (r.m.s. deviations = 0.017 and 0.010 Å) and form dihedral angles of 73.53 (7) and 73.26 (6)° with the benzene rings. In the crystal, there are weak π–π inter­actions between the benzene rings of the benzisothia­zole groups and symmetry-related chloro­benzene rings with centroid–centroid distances of 3.6178 (13) and 3.6267 (15) Å. In addition, pairs of weak inter­molecular C—H⋯O hydrogen bonds form inversion dimers which are connected by further C—H⋯O hydrogen bonds into a three-dimensional network.
doi:10.1107/S1600536812036653
PMCID: PMC3435829  PMID: 22969675
25.  (E)-1-(4-Chloro­phen­yl)-3-[4-(2,3,4,6-tetra-O-acetyl-β-d-allopyranos­yloxy)phen­yl]prop-2-en-1-one 
The asymmetric unit of the title compound, C29H29ClO11, contains two independent mol­ecules of similar geometry, both adopting an E conformation about the C=C double bond. The dihedral angles formed by benzene rings are 10.73 (16) and 13.79 (18)°. The pyran­oside rings adopt a chair conformation. Intra­molecular C—H⋯O close contacts occur. The crystal packing is stabilized by inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536809055652
PMCID: PMC2979931  PMID: 21579741

Results 1-25 (388870)