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1.  1,5-Dibromo-2,4-dimeth­oxy­benzene 
In the title compound, C8H8Br2O2, all non-H atoms lie essentially in a common plane (r.m.s deviation of all fitted non-H atoms = 0.0330 Å). In the crystal, weak C—H⋯O hydrogen bonds connect the mol­ecules, forming chains which extend along the b-axis direction.
PMCID: PMC3589051  PMID: 23476287
2.  Ethyl 3-(2-eth­oxy-2-oxoeth­oxy)-6-(tri­fluoro­meth­yl)furo[3,2-c]quinoline-2-carboxyl­ate 
In the title compound, C19H16F3NO6, a quinoline derivative featuring an annealated furan substituent, the mean planes of the carb­oxy substituents are at an angle of 74.3 (2)°. In the crystal, C—H⋯O contacts result in undulating chains along [110]. C—H⋯F contacts also occur. The shortest centroid–centroid distance between rings is 3.3376 (7) Å, involving two furan rings of neighbouring mol­ecules.
PMCID: PMC3588983  PMID: 23476219
3.  Dimethyl 2,6-dimethyl-4-{3-[4-(methyl­sulfan­yl)phen­yl]-1H-pyrazol-4-yl}-1,4-dihydro­pyridine-3,5-dicarboxyl­ate monohydrate 
In the title compound, C21H23N3O4S·H2O, the methyl­sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro­pyridine ring adopts an E 4 conformation. In the crystal, classical O—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds, as well as C—H⋯O and C—H⋯S contacts, connect the mol­ecules into a three-dimensional network.
PMCID: PMC3588844  PMID: 23468809
4.  Diethyl 4-[5-(4-chloro­phen­yl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
In the title compound, C22H24ClN3O4, intra­molecular C—H⋯O and C—H⋯N hydrogen bonds form S(9) and S(7) ring motifs, respectively. The 1,4-dihydro­pyridine ring adopts a flattened boat conformation. The benzene ring makes a dihedral angle of 33.36 (6)° with the pyrazole ring. In the crystal, pairs of N—H⋯N hydrogen bonds link the mol­ecules into inversion dimers. The dimers are stacked in column along the a axis through N—H⋯O and C—H⋯N hydrogen bonds. The crystal packing also features C—H⋯π inter­actions involving the pyrazole ring.
PMCID: PMC3344438  PMID: 22590200
5.  2-(4-Chloro­phen­yl)-2-oxoethyl 3,4-dimeth­oxy­benzoate 
In the title compound, C17H15ClO5, the benzene rings forms a dihedral angle of 74.45 (10)°. In the crystal, mol­ecules are linked into C(13) chains along [011] via C—H⋯O hydrogen bonds. The crystal packing also features short Cl⋯Cl contacts of 3.1253 (10) Å.
PMCID: PMC3238996  PMID: 22199845
6.  2-(4-Chloro­anilino)-1-(4-chloro­phen­yl)ethanone 
In the title compound, C14H11Cl2NO, the benzene rings form a dihedral angle of 3.14 (6)°. Overall, the mol­ecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054 Å). No significant directional inter­molecular inter­actions are observed in the crystal structure.
PMCID: PMC3239017  PMID: 22199865
7.  Diethyl 4-[5-(biphenyl-4-yl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate ethanol monosolvate 
In the title compound, C28H29N3O4·C2H6O, the benzene ring makes dihedral angles of 33.72 (13) and 32.86 (13)°, respectively, with the adjacent pyrazole and phenyl rings. In the crystal, the components are connected via inter­molecular N—H⋯O, N—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds, forming a layer parallel to the bc plane.
PMCID: PMC3152003  PMID: 21837147
8.  Diethyl 4-[2-(4-meth­oxy­phen­yl)-1H-pyrazol-3-yl]-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate 
In the title compound, C23H27N3O5, the pyrazole ring is inclined at dihedral angles of 38.16 (6) and 80.80 (6)°, respectively, to the least-squares planes of the benzene and dihydro­pyridine rings. In the crystal, adjacent mol­ecules are linked via a pair of N—H⋯N hydrogen bonds, forming an inversion dimer. The dimers are stacked in a column along the a axis through N—H⋯O hydrogen bonds. Intra- and inter­molecular C—H⋯N and C—H⋯O hydrogen bonds are also observed.
PMCID: PMC3120286  PMID: 21754799
9.  2-Dibutyl­amino-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol 
In the title compound, C23H29Cl2NO, the fluorene ring is essentially planar, with a maximum deviation from the mean plane of 0.041 (1) Å. The amine group adopts a pyramidal configuration, the sum of the bond angles being 336.2 (3)°. In the crystal, the mol­ecules are linked into dimers by inter­molecular O—H⋯N and C—H⋯O hydrogen bonds. Weak C—H⋯π and π–π [centroid–centroid distance = 3.7544 (7) Å] inter­actions are also observed.
PMCID: PMC2983289  PMID: 21587598
10.  4-Amino-3-(1-naphthyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione 
In the title compound, C13H12N4OS, the dihedral angle between the triazole and naphthalene ring systems is 67.42 (5)°. In the crystal, adjacent mol­ecules are linked via two pairs of inter­molecular N—H⋯S inter­actions, forming R 2 2(8) and R 2 2(10) ring motifs. Weak C—H⋯S inter­actions generate infinite chains along [001] and the structure is further consolidated by C–H⋯π bonds and aromatic π⋯π stacking inter­actions [distance between the centroids of the triazole rings = 3.2479 (7) Å].
PMCID: PMC2980099  PMID: 21580136
11.  (1Z)-1-(2,4-Dichloro­phen­yl)ethan-1-one semicarbazone 
In the title compound, C9H9Cl2N3O, the semicarbazone group is approximately planar, with an r.m.s deviation from the mean plane of 0.011 (2) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 38.76 (9)°. The crystal structure is further stabilized by N—H⋯O and C—H⋯O hydrogen bonding.
PMCID: PMC2969861  PMID: 21577494
12.  4-Amino-3-(p-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione 
In the title triazole compound, C10H12N4OS, the triazole ring is essentially planar [maximum deviation = 0.009 (1) Å] and forms a dihedral angle of 5.78 (4)° with the benzene ring. In the crystal structure, mol­ecules are linked into dimers by centrosymmetric N—H⋯S inter­actions. These dimers are linked into two-mol­ecule-wide tapes by N—H⋯N and S⋯S [3.2634 (3) Å] inter­actions. In addition, they are further inter­connected by weak N—H⋯S inter­actions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak inter­molecular C—H⋯π inter­actions.
PMCID: PMC2977210  PMID: 21583604
13.  4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione 
The asymmetric unit of the title compound, C10H12N4OS, contains two independent mol­ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol­ecule A and 77.60 (5)° in mol­ecule B. In the crystal, mol­ecules are linked into a three-dimensional network by N—H⋯S, N—H⋯O, N—H⋯N and C—H⋯S hydrogen bonds and π–π inter­actions between the benzene and triazole rings [centroid–centroid distance = 3.5311 (6) Å] are also present.
PMCID: PMC2977493  PMID: 21583598
14.  (Z)-1-(2,5-Dichloro-3-thien­yl)ethanone semicarbazone 
The title mol­ecule, C7H7Cl2N3OS, is approximately planar [maximum deviation = 0.062 (1) Å]. Short inter­molecular distances between the centroids of the five-membered rings [3.5340 (8) Å] indicate the existence of π–π inter­actions. An inter­esting feature of the crystal structure is the presence of short intra­molecular Cl⋯N inter­actions [3.0015 (11) Å]. Mol­ecules are linked via pairs of inter­molecular N—H⋯O hydrogen bonds, generating R 2 2(8) ring motifs. Furthermore, N—H⋯O hydrogen bonds form R 2 1(7) ring motifs with C—H⋯O contacts, further consolidating the crystal structure. In the crystal, mol­ecules are linked by these inter­molecular inter­actions, forming chains along [001].
PMCID: PMC2977384  PMID: 21583552
15.  5-Diethyl­amino-2-[(E)-(4-methyl-3-nitro­phenyl)­imino­meth­yl]phenol: a redetermination 
The title compound, C18H21N3O3, is a potential bidentate Schiff base ligand. The whole mol­ecule is disordered with a refined site-occupancy ratio of 0.567 (4):0.433 (4) and not just one ethyl group as reported previously [Sarojini et al. (2007 ▶). Acta Cryst. E63, o4782–o4782]. Using the whole mol­ecule disorder, R values are much smaller than those published. An intra­molecular O—H⋯N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The dihedral angle between the mean plane of the two benzene rings (major component) is 9.0 (5)°. The crystal structure shows short C⋯C [3.189 (15)–3.298 (12) Å] and C⋯O [2.983 (5)–3.149 (13) Å] contacts. Inter­molecular C—H⋯O inter­actions link neighbouring mol­ecules into dimers with R 2 2(18) motifs. In the crystal structure, these dimers are linked together by inter­molecular C—H⋯O inter­actions into one-dimensional extended chains along the b axis. The crystal structure is further stabilized by inter­molecular π–π stacking inter­actions [centroid–centroid distances = 3.458 (8)–3.691 (6) Å].
PMCID: PMC2968344  PMID: 21581950

Results 1-15 (15)