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1.  2-[6-(4-Chloro­phen­yl)imidazo[2,1-b][1,3]thia­zol-2-yl]-N′-[(E)-4-meth­oxy­benzyl­idene]acetohydrazide 
In the imidazo[2,1-b][1,3]thia­zole group of the title compound, C21H17ClN4O2S, the dihedral angle between the thia­zole and imidazole rings is 1.9 (2)°. The mean plane of this group makes dihedral angles of 5.5 (2) and 39.9 (2)° with the benzene rings of the chloro­phenyl and meth­oxy­phenyl groups, respectively. The dihedral angle between these two benzene rings is 34.4 (2)°. In the crystal, mol­ecules are connected to each other by inter­molecular N—H⋯O hydrogen bonds along the b axis, generating a C(4) chain. Weak C—H⋯π inter­actions also occur.
PMCID: PMC3050215  PMID: 21522689
2.  3-{[6-(4-Chloro­phen­yl)imidazo[2,1-b][1,3,4]thia­diazol-2-yl]meth­yl}-1,2-benzoxazole 
In the title compound, C18H11ClN4OS, the benzisoxazole and imidazothia­diazole rings are inclined at an angle of 23.81 (7)° with respect to each other. The imidazothia­diazole and chloro­phenyl rings make a dihedral angle of 27.34 (3)°. In the crystal, inter­molecular C—H⋯N inter­actions generate a chain along the c axis and C—H⋯O inter­actions form centrosymmetric dimers resulting in an R 2 2(26) graph-set motif. Moreover, the C—H⋯N and S⋯N [3.206 (4) Å] inter­actions links the mol­ecules into R(7) ring motifs. The packing is further stabilized by π–π stacking inter­actions between the thia­diazole rings with a shortest centroid–centroid distance of 3.497 (3) Å. In addition, C—H⋯π inter­actions are observed in the crystal structure
PMCID: PMC3052169  PMID: 21522374
3.  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].
PMCID: PMC3009369  PMID: 21588948
4.  Ethyl 2-[1-(4-chloro­phen­yl)-2,5-dioxo-1,2,3,5-tetra­hydro­imidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate 
The asymmetric unit of the title compound, C22H16ClN3O5, consists of two crystallographically independent mol­ecules. The fused rings of the imidazo[1,2-a]benzo[4,5]furo[3,2-d]pyrimidine system are nearly coplanar and the chlorophenyl rings are twisted with respect to the two pyrimidinone ring systems by 71.00 (2) and 62.59 (2)°. The C atoms of the ethyl side chain are disordered and were refined using a split model. In the crystal structure, the mol­ecules are connected via weak intra- and inter­molecular C—H⋯O inter­actions are present. The ethyl group in one molecule is disordered over two positions, with site occupancy factors 0.55 and 0.45; in the other molecule only the methyl group is disordered over two positions, with site occupancy factors 0.6 and 0.4.
PMCID: PMC2915365  PMID: 21200883
5.  6-(4-Chloro­phen­yl)-2-isobutyl­imidazo[2,1-b][1,3,4]thia­diazole 
In the title compound, C14H14ClN3S, the imidazo[2,1-b][1,3,4]thia­diazole system is essentially planar, with a maximum deviation of 0.006 (2) Å. The dihedral angle between the imidazo[2,1-b][1,3,4]thia­diazole and chloro­phenyl rings is 5.07 (8)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak π–π [centroid–centroid distance = 3.5697 (11) Å] and C—H⋯π inter­actions.
PMCID: PMC3050343  PMID: 21522707
6.  1-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)-3-(2-chloro­phen­yl)urea 
In the title compound, C14H11Cl2N5O, the plane of the 1H-imidazo[4,5-c]pyridine ring system [r.m.s. deviation = 0.087 (19) Å] makes a dihedral angle of 4.87 (10)° with the terminal phenyl ring. An intra­molecular N—H⋯N hydrogen bond stabilizes the mol­ecular conformation. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into inversion dimers. These dimers are connected by π–π inter­actions between imidazole rings [shortest centroid–centroid distance = 3.4443 (14) Å].
PMCID: PMC3998316  PMID: 24764877
7.  6-(4-Chloro­phen­yl)-3-methyl­imidazo[2,1-b]thia­zole 
In the title compound, C12H9ClN2S, the imidazo[2,1-b]thia­zole fragment is planar (r.m.s. deviation = 0.003 Å), and the benzene ring is twisted slightly [by 5.65 (6)°] relative to this moiety. In the crystal, mol­ecules are linked by π–π stacking inter­actions into columns along [010]. The mol­ecules within the columns are arranged alternatively by their planar rotation of 180°. Thus, in the columns, there are the two types of π–π stacking inter­actions, namely, (i) between two imidazo[2,1-b]thia­zole fragments [inter­planar distance = 3.351 (2) Å] and (ii) between an imidazo[2,1-b]thia­zole fragment and the phenyl ring [inter­planar distance = 3.410 (5) Å]. There are no short contacts between the columns.
PMCID: PMC3884351  PMID: 24454127
8.  1-Methyl-3-(4-chloro­benzo­yl)imidazo[1,2-a]pyridin-1-ium-2-olate 
In the mol­ecule of the title compound, C15H11ClN2O2, the nine-membered heterobicycle is approximately planar [largest deviation from least-squares plane = 0.012 (2) Å] and forms a dihedral angle of 51.14 (8)° with the plane of the 4-chloro­phenyl group. There is a non-classical intra­molecular hydrogen bond between the pyridine α-H atom and the O atom of the benzoyl group. The crystal structure is stabilized by weak C—H⋯O and C—H⋯Cl inter­actions involving the ‘olate’ O atom and the Cl atom attached to the benzoyl group as acceptors.
PMCID: PMC3201236  PMID: 22064572
9.  Dichloridobis[3-(4-chloro­phen­yl)-2,N,N-trimethyl-2,3-di­hydro-1,2,4-oxa­diazole-5-amine-κN 4]platinum(II)–4-chloro­benzaldehyde (1/1) 
In the title 1:1 co-crystal, [PtCl2(C11H14ClN3O)2]·C7H5ClO, the coordination polyhedron of the PtII atom is slightly distorted square-planar with the chloride and 2,3-di­hydro-1,2,4-oxa­diazole ligands mutually trans, as the Pt atom lies on an inversion center. The 4-chloro­benzaldehyde mol­ecules are statistically disordered about an inversion centre with equal occupancies for the two positions. The PtII complex forms a three-dimensional structure through C—H⋯Cl and weaker C—H⋯O inter­actions with the 4-chloro­benzaldehyde mol­ecule.
PMCID: PMC3793686  PMID: 24109273
10.  1′-(2-Chloro­phen­yl)-5,6,5′,6′,7′,7a′-hexa­hydro-1′H,1′′H-dispiro­[imidazo[2,1-b][1,3]thia­zole-2,2′-pyrrolizine-3′(2′H),3′′-indole]-2′′,3(2H,3′′H)-dione 
In the title compound, C24H21ClN4O2S, the two adjacent spiro junctions link an almost planar (r.m.s. deviation = 0.017 Å) 2-oxindole ring, a hexa­hydro-1H-pyrrolizine ring and a tetra­hydro­imidazo[2,1-b]thia­zole ring. In the crystal, inversion dimers linked by pairs of N—H⋯N hydrogen bonds occur, generating an R 2 2(16) loop.
PMCID: PMC2983913  PMID: 21580676
11.  6-(3-Chloro­phen­yl)imidazo[2,1-b][1,3,4]thia­diazole 
In the title compound, C10H8ClN3S, the dihedral angle between the mean planes of the benzene and imidazo[2,1-b][1,3,4]thia­diazole rings is 6.0 (9)°. In the crystal, mol­ecules are assembled by the formation of centrosymmetric dimers by π-stacking of the thia­diazole and benzene rings of neighboring mol­ecules [centroid–centroid distance = 3.6938 (11) Å] along [010].
PMCID: PMC3588322  PMID: 23476447
12.  1-Isobutyl-4-meth­oxy-1H-imidazo[4,5-c]quinoline 
In the title compound, C15H17N3O, the 1H-imidazo[4,5-c]quinoline ring system is approximately planar, with a maximum deviation of 0.036 (1) Å. The C—N—C—C torsion angles formed between this ring system and the isobutyl unit are −99.77 (16) and 79.71 (17)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains along the c axis.
PMCID: PMC3200859  PMID: 22058955
13.  2-(4-Chloro­phen­yl)imidazo[1,2-a]pyridine-3-carbaldehyde 
The asymmetric unit of the title compound, C14H9ClN2O, contains two mol­ecules with dihedral angles of 33.52 (11) and 34.58 (11)° between their benzene rings and imidazole ring systems. In the crystal, C—H⋯N and C—H⋯O inter­actions are observed. The crystal examined was found to be a racemic twin.
PMCID: PMC2971907  PMID: 21578903
14.  N-tert-Butyl-2-(2,6-di­chloro­phen­yl)imidazo[1,2-a]pyrazin-3-amine 
In the title compound, C16H16Cl2N4, the imidazole ring mean plane makes a dihedral angle of 70.01 (1)° with the phenyl ring. The Cl atoms deviate by −0.0472 (6) and 0.0245 (8) Å from the plane of their attached benzene ring. In the crystal, mol­ecules are linked via pairs of C—H⋯N hydrogen bonds, forming inversion dimers.
PMCID: PMC3685091  PMID: 23795110
15.  7-Chloro-4-[(E)-2-(4-methoxy­benzyl­idene)hydrazin-1-yl]quinoline monohydrate 
The organic mol­ecule in the title hydrate, C17H14ClN3O·H2O, has a small but significant twist from planarity, as seen in the dihedral angle of 12.10 (17)° between the quinoline and benzene rings. The conformation about the C=N bond is E. Chains along the b axis are formed in the crystal structure aided by water–quinoline O—H⋯N (× 2) and hydrazone–water N—H⋯O hydrogen bonds. Layers of these chains stack along the a axis via C—H⋯π and π–π inter­actions [ring centroid–ring centroid distance = 3.674 (2) Å]. C—H⋯O inter­actions are also present.
PMCID: PMC2983656  PMID: 21580437
16.  4′-(4-Chloro­phen­yl)-3′-(4-meth­oxy­phen­yl)-3,4-dihydro-1H,4′H-spiro­[acridine-2,5′-isoxazol]-1-one 
In the title compound, C28H21ClN2O3, the quinoline ring system is essentially planar with a maximum deviation of 0.0436 (17) Å. The isoxazole and cyclo­hexane rings adopt envelope conformations. The isoxazole ring is almost orthogonal to both the quinoline ring system and the cyclo­hexane ring, making dihedral angles of 85.75 (8) and 81.46 (9) °, respectively. The O atom deviates signifigantly from the six-membered carbocyclic ring by 0.3947 (16) Å. In the crystal, mol­ecules are linked into inversion dimers via pairs of C—H⋯O inter­actions, resulting in R 2 2(24) ring motifs.
PMCID: PMC3515270  PMID: 23284490
17.  2-(4-Fluoro­phen­yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline monohydrate 
In the title compound, C25H15FN4·H2O, the fused ring system is essentially planar [maximum deviation of 0.0822 (14) Å]. The imidazole ring makes dihedral angles of 76.83 (7) and 32.22 (7)° with the phenyl group attached to nitro­gen and the fluoro­benzene group to carbon, respectively. The dihedral angle between the two phenyl rings is 72.13 (7)°. Inter­molecular O—H⋯N, O—H⋯F, C—H⋯F, C—H⋯O and C—H⋯N hydrogen bonds are found in the crystal structure.
PMCID: PMC3212347  PMID: 22091004
18.  (2-Chloro­phen­yl)(diphenyl­phosphor­yl)methanol 
The title compound, C19H16ClO2P, was obtained by the reaction of diphenyl­phosphine oxide with 2-chloro­benzaldehyde. The mol­ecule has a tetra­hedral structure at the P atom. The dihedral angle between the phenyl rings attached to the P atom is 80.4 (1)°. The mol­ecules are linked together by inter­molecular O—H⋯O and C—H⋯O hydrogen-bonding inter­actrions. The crystal studied was an inversion twin.
PMCID: PMC2915293  PMID: 21200800
19.  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.
PMCID: PMC3007349  PMID: 21588294
20.  Ethyl (2,5-dioxo-1-phenyl-2,3-dihydro-1H,5H-1-benzofuro[3,2-d]imidazo[1,2-a]pyrimidin-3-yl)acetate 
In the title compound, C22H17N3O5, synthesized via the aza-Wittig reaction of ethyl 3-(phenyl­imino­methyl­ene­amino)­benzofuran-2-carboxyl­ate, benzene isocyanate and diethyl 2-amino­succinate, the imidazo[1,2-a]benzo[4,5]furo[2,3-d]pyrim­idine ring system is essentially planar (r.m.s. deviation for all 16 non-H atoms = 0.020 Å). The phenyl ring is twisted with respect to this ring system, making a dihedral angle of 54.23 (4)°. The crystal packing is stabilized by weak inter­molecular C—H⋯O inter­actions.
PMCID: PMC3007370  PMID: 21588454
21.  Ethyl 2-(4-chloro­phen­yl)-1-phenyl-1H-benzimidazole-5-carboxyl­ate 
In the title compound, C22H17ClN2O2, the essentially planar benzimidazole ring system [maximum deviation = 0.012 (2) Å] forms dihedral angles of 28.69 (6) and 63.65 (7)°, respectively, with the phenyl and chloro-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 64.23 (8)°. In the crystal, mol­ecules are linked into a zigzag chain along the a axis by inter­molecular C—H⋯O hydrogen bonds. C—H⋯π inter­actions are also present.
PMCID: PMC3379429  PMID: 22719627
22.  6-Fluoro-2-(4-meth­oxy­phen­yl)imidazo[2,1-b][1,3]benzothia­zole 
The asymmetric unit of the title compound, C16H11FN2OS, comprises two independent mol­ecules in which the benzothia­zole rings are essentially planar, with maximum deviations of 0.038 (2) and 0.045 (3) Å. The central benzothia­zole ring makes dihedral angles of 4.87 (13) and 0.64 (12)° and 4.04 (12) and 3.67 (12)° with the two terminal phenyl rings in the two independent mol­ecules. In the crystal, mol­ecules are connected via weak inter­molecular C—H⋯O hydrogen bonds forming supra­molecular chains along the c axis.
PMCID: PMC3238924  PMID: 22199773
23.  3-(4-Chloro­phen­yl)quinazolin-4(3H)-one 
In the title compound, C14H9ClN2O, the quinazoline unit is essentially planar, with a mean deviation from the least-squares plane defined by the ten constituent ring atoms of 0.027 (2) Å. The dihedral angle between the mean plane of the quinazoline ring system and the 4-chloro­phenyl ring is 44.63 (5)°. In the crystal, mol­ecules are linked by inter­molecular C—H⋯N and C—H⋯O hydrogen bonds, forming infinite chains of alternating R22(6) dimers and R22(14) ring motifs.
PMCID: PMC3200588  PMID: 22058942
24.  6-(4-Bromo­phen­yl)-2-(4-fluoro­benz­yl)imidazo[2,1-b][1,3,4]thia­diazole 
In the title compound, C17H11BrFN3S, the imidazothia­diazole and bromo­phenyl rings are individually almost planar, with maximum deviations of 0.0215 (4) and 0.0044 (4) Å, respectively, and are inclined at an angle of 27.34 (3)° with respect to each other. The dihedral angle between the mean planes of the fluoro­benzyl and imidazothia­diazole rings is 79.54 (3)°. The crystal structure is stabilized by inter­molecular C—H⋯N inter­actions resulting in chains of mol­ecules along the b axis.
PMCID: PMC3100000  PMID: 21754070
25.  1-[(6-Chloro­pyridin-3-yl)meth­yl]-10-nitro-1,2,3,5,6,7,8,9-octa­hydro-5,9-methano­imidazo[1,2-a]azocin-5-ol 
In the title compound, C16H19ClN4O3, the cyclo­hexane ring displays a chair formation and the tetra­hydro­pyridine ring displays an envelope conformation with the methyl­ene C atom as the flap; the imidazolidine ring also displays an envelope conformation with a methyl­ene C atom as the flap. In the crystal, O—H⋯N hydrogen bonds between hy­droxy groups and pyridine rings link inversion-related mol­ecules into dimers. Weak C—H⋯O hydrogen bonds further link the dimers into supra­molecular chains running along the c axis.
PMCID: PMC3772455  PMID: 24046598

Results 1-25 (69967)