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1.  Crystal structure of 2-(4-chloro­phen­yl)-2-oxoethyl 3-bromo­benzoate 
Packing in the title keto ester compound is dominated by the formation of inversion dimers by both non-classical hydrogen bonds and offset π–π stacking inter­actions.
2-(4-Chloro­phen­yl)-2-oxoethyl 3-bromo­benzoate, C15H10BrClO3, was synthesized in a single-step reaction by condensation of 3-bromo­benzoic acid with 2-bromo-1-(4-chloro­phen­yl)ethanone in di­methyl­formamide in the presence of tri­ethyl­amine as a catalyst. The structure consists of an aryl ketone moiety linked to an aryl ester unit by a methyl­ene group. Both units are reasonably planar (r.m.s. deviations of 0.119 and 0.010 Å for the aryl ketone and aryl ester units, respectively) and are almost orthogonal, with an angle of 88.60 (3)° between them. In the crystal, mol­ecules form five separate sets of inversion dimers. Three of these are generated by two C—H⋯O inter­actions and a C—H⋯Br contact, and form chains along c and along the ab cell diagonal. In addition, two inversion-related π–π stacking inter­actions between like aryl rings again form chains of mol­ecules but in this instance along the bc diagonal. These contacts generate infinite layers of mol­ecules parallel to (011) and stack the mol­ecules along the a-axis direction.
doi:10.1107/S1600536814021643
PMCID: PMC4257351  PMID: 25484728
crystal structure; 2-(4-chloro­phen­yl)-2-oxoethyl 3-bromo­benzoate; synthesis; π–π inter­actions; inversion dimers
2.  2-Amino-4-(4-chloro­phen­yl)-4H-chromeno[8,7-b]pyridine-3-carbonitrile 
The asymmetric unit of the title compound, C19H12ClN3O, contains two mol­ecules with similar conformations. The 14 non-H atoms comprising the 4H-chromeno[8,7-b]pyridine residue are essentially coplanar (r.m.s. deviations = 0.037 and 0.042 Å for the two mol­ecules) and the main difference between them is seen in the twist about the bond linking the main residue to the attached chloro­benzene rings [dihedral angles = 79.01 (12) and 76.22 (11)° for the two mol­ecules]. Zigzag supra­molecular chains along the a-axis direction mediated by amino–pyridine N—H⋯N hydrogen bonds feature in the crystal packing; these are connected into a three-dimensional architecture by C—H⋯π inter­actions and Cl⋯Cl contacts [Cl⋯Cl = 3.3896 (14) Å].
doi:10.1107/S1600536813005217
PMCID: PMC3629505  PMID: 23634023
3.  Eight 7-benzyl-3-tert-butyl-1-phenyl­pyrazolo[3,4-d]oxazines, encompassing structures containing no inter­molecular hydrogen bonds, and hydrogen-bonded structures in one, two or three dimensions 
7-Benzyl-3-tert-butyl-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C22H25N3O, (I), and 3-tert-butyl-7-(4-methyl­benz­yl)-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C23H27N3O, (II), are isomorphous in the space group P21, and mol­ecules are linked into chains by C—H⋯O hydrogen bonds. In each of 3-tert-butyl-7-(4-methoxy­benz­yl)-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C23H27N3O2, (III), which has cell dimensions rather similar to those of (I) and (II), also in P21, and 3-tert-butyl-1-phenyl-7-[4-(trifluoro­meth­yl)benz­yl]-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C23H24F3N3O, (IV), there are no direction-specific inter­actions between the mol­ecules. In 3-tert-butyl-7-(4-nitro­benz­yl)-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C22H24N4O3, (V), a combination of C—H⋯O and C—H⋯N hydrogen bonds links the mol­ecules into complex sheets. There are no direction-specific inter­actions between the mol­ecules of 3-tert-butyl-7-(2,3-dimethoxy­benz­yl)-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C24H29N3O3, (VI), but a three-dimensional framework is formed in 3-tert-butyl-7-(3,4-methyl­enedioxy­benz­yl)-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C23H25N3O3, (VII), by a combination of C—H⋯O, C—H⋯N and C—H⋯π(arene) hydrogen bonds, while a combination of C—H⋯O and C—H⋯π(arene) hydrogen bonds links the mol­ecules of 3-tert-butyl-1-phenyl-7-(3,4,5-trimethoxy­benz­yl)-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazine, C25H31N3O4, (VIII), into complex sheets. In each compound, the oxazine ring adopts a half-chair conformation, while the orientations of the pendent phenyl and tert-butyl substituents relative to the pyrazolo[3,4-d]oxazine unit are all very similar.
doi:10.1107/S0108270109028017
PMCID: PMC2720151  PMID: 19652329
4.  rac-4-Chloro-2-[({2-[(3-chloro-6-hy­droxy-2,4-dimethyl­benz­yl)(meth­yl)amino]­prop­yl}(meth­yl)amino)­meth­yl]-3,5-dimethyl­phenol 
The title compound, C23H32Cl2N2O2, a potential chiral ligand for coordination chemistry, was prepared by a two-step reaction. The mol­ecule is located on a crystallographic centre of inversion. As a result, the methyl group bonded to the methyl­ene group is disordered over two equally occupied positions, sharing the same site as the H atom of the chiral C atom. As a further consequence of the crystallographic centrosymmetry, the 1,2-diamino­propane unit adopts an anti­periplanar conformation and the two benzene rings are coplanar. The central chain is in an all-trans arrangement. An intra­molecular O—H⋯N hydrogen bond makes an S(6) ring motif. A C—H⋯π inter­action links the mol­ecules into one-dimensional chains along the [001] direction.
doi:10.1107/S1600536812039694
PMCID: PMC3470356  PMID: 23125769
5.  rac-4-(4-Chloro­phen­yl)-2-methyl­amino-3-nitro-5,6,7,8-tetra­hydro-4H-chromen-5-one 
The title compound, C16H15ClN2O4, contains a chiral centre and crystallizes as a racemate. The methyl­ene group β-positioned to the carbonyl group is partially (21%) disordered. It flips to the opposite sides of the corresponding six-membered carbocycle by −0.304 (3) and 0.197 (11) Å, producing alternative envelope conformations. The planes of the pyran and chloro­phenyl rings form a dihedral angle of 86.25 (9)°. The mol­ecular structure is characterized by an intra­molecular N—H⋯O inter­action, which generates an S(6) ring motif. The corresponding amino N atom deviates from the plane of the pyran ring by 0.1634 (19) Å. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming C(8) chains running parallel to the b-axis direction. The crystal structure also features C—H⋯π inter­actions.
doi:10.1107/S1600536813014530
PMCID: PMC3772485  PMID: 24046628
6.  Crystal structures of 2-benzyl­amino-4-(4-bromo­phen­yl)-6,7,8,9-tetra­hydro-5H-cyclo­hepta­[b]pyridine-3-carbo­nitrile and 2-benzyl­amino-4-(4-chloro­phen­yl)-6,7,8,9-tetra­hydro-5H-cyclo­hepta[b]pyridine-3-carbo­nitrile 
In two cyclo­hepta­[b]pyridine-3-carbo­nitrile derivatives, the cyclo­heptane ring adopts a half-chair conformation. In the crystals of both compounds, pairs of N—H⋯Nnitrile hydrogen bonds link the mol­ecules, forming inversion dimers with (12) ring motifs.
In the title compounds, C24H22BrN3, (I), and C24H22ClN3, (II), the 2-amino­pyridine ring is fused with a cyclo­heptane ring, which adopts a half-chair conformation. The planes of the phenyl and benzene rings are inclined to that of the central pyridine ring [r.m.s. deviations = 0.0083 (1) and 0.0093 (1) Å for (I) and (II), respectively] by 62.47 (17) and 72.51 (14)°, respectively, in (I), and by 71.44 (9) and 54.90 (8)°, respectively, in (II). The planes of the aromatic rings are inclined to one another by 53.82 (17)° in (I) and by 58.04 (9)° in (II). In the crystals of both (I) and (II), pairs of N—H⋯Nnitrile hydrogen bonds link the mol­ecules, forming inversion dimers with R 2 2(12) ring motifs. In (I), the resulting dimers are connected through C—H⋯Br hydrogen bonds, forming sheets parallel to (10-1), and π–π inter­actions [inter-centroid distance = 3.7821 (16) Å] involving inversion-related pyridine rings, forming a three-dimensional network. In (II), the resulting dimers are connected through π–π inter­actions [inter-centroid distance = 3.771 (2) Å] involving inversion-related pyridine rings, forming a two-dimensional network lying parallel to (001).
doi:10.1107/S2056989014025936
PMCID: PMC4331894
crystal structure; cyclo­hepta­[b]pyridine; carbo­nitrile; hydrogen bonding; π–π inter­actions
7.  Ethyl 1-sec-butyl-2-(4-chloro­phen­yl)-1H-benzimidazole-5-carboxyl­ate 
In the title compound, C20H21ClN2O2, the ethyl 1H-benzimidazole-5-carboxyl­ate ring system, excluding the methyl­ene and methyl H atoms, is almost planar, with a maximum deviation of 0.055 (1) Å, and makes a dihedral angle of 40.63 (4)° with the benzene ring. The sec-butyl group is disordered over two positions, with refined site occupancies of 0.855 (4) and 0.145 (4). In the crystal, mol­ecules are linked into chains along [010] via inter­molecular C—H⋯O hydrogen bonds and are further inter­connected by C—H⋯Cl inter­actions into two-dimensional networks parallel to (001). The crystal structure is further consolidated by C—H⋯π inter­actions.
doi:10.1107/S1600536810033945
PMCID: PMC3008004  PMID: 21588740
8.  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
9.  3-Chloro-N-(3-chloro­phen­yl)benzamide 
In the crystal structure of the title compound, C13H9Cl2NO, the N—H and C=O bonds are anti to each other in the two independent mol­ecules. In one mol­ecule, the N—H bond is syn to the meta-chloro group of the attached ring; it is anti in the other mol­ecule. This relationship is also observed between the C=O bond and the meta-chloro substituent of its attached ring. The amide –NHCO– group makes dihedral angles of 31.5 (4) and 34.7 (3)° with the aniline rings; it makes dihedral angles of 37.4 (3) and 37.2 (3)° with the benzoyl rings. The two rings are nearly coplanar, with dihedral angles of 9.1 (2) and 7.3 (3)° in the two independent mol­ecules. Adjacent mol­ecules are linked into infinite chains through N—H⋯O hydrogen bonds.
doi:10.1107/S1600536808012099
PMCID: PMC2961234  PMID: 21202429
10.  (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
11.  1-(4-Chloro­butano­yl)-3-(3-chloro­phen­yl)thio­urea 
The two independent mol­ecules in the asymmetric unit of the title compound, C11H12Cl2N2OS, exhibit different conformations, with the benzene ring and the N2CS thio­urea group forming dihedral angles of 87.40 (18) and 69.42 (15)°. An intra­molecular N—H⋯O hydrogen bond is present in each mol­ecule. Two further N—H⋯O hydrogen bonds link the independent mol­ecules into a dimer. In the crystal, the dimers are linked by N—H⋯S and C—H⋯S hydrogen bonds, forming chains parallel to the c axis.
doi:10.1107/S1600536814009295
PMCID: PMC4051110  PMID: 24940255
12.  (E)-1-(4-Amino­phen­yl)-3-(2-chloro­phen­yl)prop-2-en-1-one 
The title compound, C15H12ClNO, a substituted chalcone, adopts an E configuration with respect to the C=C bond of the enone unit. The mol­ecule is not planar, as can be seen from the dihedral angle of 28.9 (2)° between the two rings which are twisted from each other. The enone segment of the mol­ecule is not coplanar with the chloro­phenyl ring, making a dihedral angle of 23.4 (3)° with it. The amino group is also not coplanar with the ring to which it is bound, making a dihedral angle of 35 (4)°. In the crystal structure, adjacent mol­ecules are linked by N—H⋯O inter­actions into one-dimensional infinite chains along the c axis, and are further stacked as one-dimensional zigzag chains down the b axis, forming two-dimensional extended networks parallel to the bc plane.
doi:10.1107/S1600536808030456
PMCID: PMC2959457  PMID: 21201210
13.  N-(2-Chloro­phen­yl)-N′-(2-methyl­phen­yl)succinamide 
In the title compound, C17H17ClN2O2, the asymmetric unit contains half a mol­ecule with a centre of symmetry at the mid-point of the central C—C bond. The conformations of the amide O atoms are anti to the methyl­ene atoms. Further, the N—H bonds in the amide fragments are anti to the ortho-chloro/methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH—C(O)—CH2 segment in the two halves of the mol­ecule is 62.0 (2)°. In the crystal, a series of N—H⋯O inter­molecular hydrogen bonds link the mol­ecules into column-like infinite chains along the a axis. The methyl and Cl groups are disordered with respect to the ortho positions of the benzene ring, with site-occupation factors of 0.5 each.
doi:10.1107/S1600536811035616
PMCID: PMC3201445  PMID: 22065708
14.  Di­aqua­[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ4 N]iron(III) tri­fluoro­methane­sulfonate–4-hy­droxy-3-meth­oxy­benzaldehyde–water (1/1/2) 
In the title compound, [Fe(C44H24Cl4N4)(H2O)2](SO3CF3)·C8H8O3·2H2O, the FeIII cation is chelated by the four N atoms of the deprotonated tetra­kis­(4-chloro­tetra­phen­yl)porphyrin (TClPP) and further coordinated by two water mol­ecules in a distorted octa­hedral geometry. In the crystal, the cations, anions, 4-hy­droxy-3-meth­oxy­benzaldehyde and water mol­ecules of crystallization are linked by classical O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional supra­molecular architecture. The crystal packing is further stabilized by weak C—H⋯π inter­actions involving pyrrole and benzene rings. π–π stacking between parallel benzene rings of adjacent 4-hy­droxy-3-meth­oxy­benzaldehyde mol­ecules is also observed, the centroid–centroid distance being 3.8003 (13) Å. The three F atoms of the anion are disordered over two sets of sites, with a refined occupancy ratio 0.527 (12):0.473 (12). The O atom of one water mol­ecule of crystallization is also disordered over two positions in an occupancy ratio of 0.68 (5):0.32 (5).
doi:10.1107/S1600536814015335
PMCID: PMC4158530  PMID: 25249880
crystal structure
15.  2-Chloro-N-(3-chloro­phen­yl)acetamide 
The N—H bond in the title compound, C8H7Cl2NO, is anti to the meta-chloro substituent in the aromatic ring in both independent mol­ecules comprising the asymmetric unit. The C=O bond is anti to the N—H bond and is also anti to the methyl­ene H atoms. Inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into supra­molecular chains.
doi:10.1107/S1600536809011660
PMCID: PMC2977650  PMID: 21583993
16.  10-(4-Chloro­phen­yl)-14a-hy­droxy-12-methyl-8,9,9a,10,12,13,14,14a-octa­hydro-5H-10a,14-methano­indeno­[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione 
The asymmetric unit of the title compound, C26H25ClN2O3, contains two independent mol­ecules (A and B). The conformation of the two mol­ecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both mol­ecules, the six-membered piperidin-3-one rings have chair conformations. In mol­ecule A, all four five-membered rings have twist conformations. In mol­ecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intra­molecular O—H⋯N hydrogen bond occurs in each independent mol­ecule while a C—H⋯O inter­action is also observed in mol­ecule A. In the crystal, pairs of O—H⋯O hydrogen bonds link the mol­ecules, forming inversion dimers with graph-set motif R 2 2(12). These dimers are further inter­connected by C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536813034107
PMCID: PMC3914117  PMID: 24527024
17.  2-Bromo-4-chloro-6-[(E)-(2-chloro­phen­yl)imino­meth­yl]phenol 
The title compound, C13H8BrCl2NO, was obtained by reaction of 3-bromo-5-chloro­salicylaldehyde and 2-chloro­benzenamine in methanol. The mol­ecule displays an E configuration with respect to the imine C=N double bond. The dihedral angle between the two benzene rings is 4.57 (11)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯O hydrogen-bonding inter­actions into zigzag chains running parallel to the b axis. Inter­molecular Br⋯Cl [3.5289 (11) Å] and Cl⋯Cl [3.5042 (12) Å] inter­actions are present.
doi:10.1107/S1600536809007181
PMCID: PMC2968929  PMID: 21582411
18.  5-Chloro-5′′-(4-chloro­benzyl­idene)-4′-(4-chloro­phen­yl)-1′,1′′-dimethyldi­spiro­[indoline-3,2′-pyrrolidine-3′,3′′-piperidine]-2,4′′-dione 
The racemic title compound, C30H26Cl3N3O2, comprises two spiro links, the first connecting the piperidine and pyrrolidine rings and the other connecting the indole and pyrrolidine rings. The piperidine ring adopts a half-chair conformation, while the pyrrolidine ring has an envelope conformation with the unsubstituted C atom as the flap. The dihedral angles between the two p-Cl-substituted benzene rings and the indole ring are 33.13 (14) and 54.11 (14)°. In the crystal, mol­ecules form inversion dimers through pairs of N—H⋯O hydrogen bonds [graph set R 2 2(8)]. Aromatic C—H⋯O hydrogen bonds extend these dimers into a ribbon structure, enclosing R 2 2(14) ring motifs, along the a-axis direction.
doi:10.1107/S1600536814004309
PMCID: PMC3998502  PMID: 24765059
19.  4-Chloro-N-(4-chloro­phen­yl)-2-methyl­benzene­sulfonamide 
In the title compound, C13H11Cl2NO2S, the conformations of the N—C bonds in the C—SO2—NH—C segment have gauche torsions with respect to the S=O bonds. Further, the conformation of the N—H bond is syn to the ortho-methyl group in the sulfonyl benzene ring. The torsion angle of the C—SO2—NH—C segment in the mol­ecule is 55.0 (2)°. The two benzene rings are tilted relative to each other by 67.0 (1)°. In the crystal, inter­molecular N–H⋯O hydrogen bonds link the mol­ecules into infinite column-like chains.
doi:10.1107/S1600536810026930
PMCID: PMC3007535  PMID: 21588314
20.  (E)-1-[1-(3-Chloro­phen­yl)ethyl­idene]-2-(2,4-dinitro­phen­yl)hydrazine 
There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C14H11ClN4O4, with the same E conformation about the C=N double bond. The mol­ecules are approximately planar, with a dihedral angle between the benzene rings of 10.24 (12)° in one mol­ecule and 4.73 (12)° in the other. In both mol­ecules, the ortho-nitro groups of the 2,4-dinitro­phenyl units are coplanar to their bound benzene rings, whereas the para-nitro groups are slightly twisted. In each mol­ecule, intra­molecular N—H⋯O hydrogen bonds generate S(6) ring motifs. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions into sheets parallel to the (-102) plane. These sheets are stacked by π–π inter­actions, with centroid–centroid distances of 3.7008 (14) and 3.7459 (14) Å. A Cl⋯O short contact [3.111 (2) Å] is observed.
doi:10.1107/S160053681200548X
PMCID: PMC3295481  PMID: 22412592
21.  (Z)-Isobutyl 2-benzamido-3-(4-chloro­phen­yl)acrylate 
The title compound, C20H20ClNO3, is a α-amino acid derivative which displays a Z configuration about the C=C double bond. The dihedral angle betwen the aromatic rings is 87.75 (12)°. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯N hydrogen bond. In the crystal structure, centrosymmetrically related mol­ecules inter­act through inter­molecular C—H⋯O hydrogen-bond inter­actions, forming dimers. The dimers are further linked into chains parallel to the a axis by N—H⋯O hydrogen bonds. The methyl groups of the isopropyl group are disordered over two positions with occupancy factors of 0.5.
doi:10.1107/S1600536809043931
PMCID: PMC2970985  PMID: 21578473
22.  4-Chloro-N-(3-chloro­phen­yl)-2-methyl­benzene­sulfonamide 
In the title compound, C13H11Cl2NO2S, the conformation of the N—H bond in the C—SO2—NH—C segment is anti to the meta-Cl atom on the aniline ring and syn to the ortho-methyl group on the sulfonyl­benzene ring. Furthermore, the torsion angle of the C—SO2—NH—C segment in the mol­ecule is 80.1 (3)°. The two benzene rings are tilted relative to each other by 70.9 (1)°. In the crystal, pairs of inter­molecular N—H⋯O hydrogen bonds link the mol­ecules via inversion-related dimers into infinite column-like chains.
doi:10.1107/S1600536810022968
PMCID: PMC3006774  PMID: 21587922
23.  N,N′-Bis(3-chloro­phen­yl)malonamide 
The asymmetric unit of the title compound, C15H12Cl2N2O2, contains two independent mol­ecules. In both independent mol­ecules, the N—H bond in one of the amide fragments is anti to the meta-chloro group of the adjacent benzene ring and that in the other amide group is syn to the other meta-chloro group. Furthermore, in both mol­ecules, each amide group is almost coplanar with the adjacent phenyl ring, making dihedral angles of 10.5 (2) and 8.7 (2)° in one molecule and 9.0 (2) and 9.6 (2)° in the other. The planes of the amide groups are inclined at dihedral angles of 83.4 (1) and 87.4 (1)° in the two mol­ecules. In the crystal, mol­ecules are linked into a chain by inter­molecular N—H⋯O hydrogen bonds.
doi:10.1107/S1600536811031333
PMCID: PMC3200632  PMID: 22058926
24.  4-{2-[5-(4-Chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]thia­zol-4-yl}benzonitrile 
The asymmetric unit of the title compound, C25H14ClFN4S, contains two independent mol­ecules (A and B). Each mol­ecule consists of five rings, namely chloro­phenyl, fluoro­phenyl, 1H-pyrazole, thia­zole and benzonitrile. In mol­ecule A, the 1H-pyrazole ring makes dihedral angles of 52.54 (8), 35.96 (8) and 15.43 (8)° with respect to the attached chloro­phenyl, fluoro­phenyl and thia­zole rings. The corresponding values in mol­ecule B are 51.65 (8), 37.26 (8) and 8.32 (8)°. In the crystal, mol­ecules are linked into dimers by C—H⋯N hydrogen bonds, generating R 2 2(10) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the ab plane via inter­molecular weak C—H⋯N and C—H⋯F hydrogen bonds. The crystal structure is further stabilized by weak π-π inter­actions [with centroid–centroid distances of 3.4303 (9) and 3.6826 (9) Å] and weak C—H⋯π inter­actions.
doi:10.1107/S1600536810031405
PMCID: PMC3007991  PMID: 21588640
25.  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

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