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1.  2-(4-Meth­oxy­phen­yl)-1-pentyl-4,5-di­phenyl-1H-imidazole 
The title compound, C27H28N2O, is a lophine (2,4,5-triphenyl-1H-imidazole) derivative with an n-pentyl chain on the amine N atom and a 4-meth­oxy substituent on the benzene ring. The two phenyl and meth­oxy­benzene rings are inclined to the imidazole ring at angles of 25.32 (7), 76.79 (5) and 35.42 (7)°, respectively, while the meth­oxy substituent lies close to the plane of its benzene ring, with a maximum deviation of 0.126 (3) Å for the meth­oxy C atom. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R 2 2(22) loops. These dimers are stacked along the a-axis direction.
doi:10.1107/S1600536812049100
PMCID: PMC3588259  PMID: 23476433
2.  2-(1H-Indol-3-yl)acetohydrazide 
In the title compound C10H11N3O, the mean plane of the indole ring system (r.m.s. deviation 0.0131 Å) subtends a dihedral angle of 87.27 (5)° to the almost planar acetohydrazide substituent (r.m.s. deviation 0.0291 Å). In the crystal, bifurcated N—H⋯(O,N) and N—H⋯N hydrogen bonds involving the pyrrole N–H grouping combine to form zigzag chains along a. Additional N—H⋯O contacts from the hydrazide N–H group augmented by C—H⋯π inter­actions link the mol­ecules into chains along the a axis. The overall effect of these contacts is a three-dimensional network structure with mol­ecules stacked along the b-axis direction.
doi:10.1107/S1600536812041694
PMCID: PMC3515242  PMID: 23284462
3.  N,N-Bis(2-hy­droxy­eth­yl)-4-methyl­benzene­sulfonamide 
In the title compound C11H17NO4S, an intra­molecular O—H⋯O hydrogen bond forms an S(8) ring and determines the conformation of the bis­(2-hy­droxy­eth­yl) segment of the mol­ecule, holding the two CH2CH2OH groups close to coplanar (r.m.s. deviation = 0.185 Å). In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into zigzag chains along the b axis. Weaker additional C—H⋯O and C—H⋯π contacts generate a three dimensional network, with mol­ecules stacked along the b-axis direction.
doi:10.1107/S1600536812041682
PMCID: PMC3515243  PMID: 23284463
4.  (Z)-3-(2-Hy­droxy­eth­yl)-2-(phenyl­imino)-1,3-thia­zolidin-4-one 
In the title compound, C11H12N2O2S, the thia­zole and phenyl rings are inclined at 56.99 (6)° to one another. The thia­zole ring is planar with an r.m.s. deviation for the five ring atoms of 0.0274 Å. The presence of the phenyl­imine substituent is confirmed with the C=N distance to the thia­zole ring of 1.2638 (19) Å. The mol­ecule adopts a Z conformation with respect to this bond. The –OH group of the hy­droxy­ethyl substituent is disordered over two positions with relative occupancies 0.517 (4) and 0.483 (4). In the crystal, O—H⋯O hydrogen bonds, augmented by C—H⋯N contacts, form dimers with R 2 2(11) rings and generate chains along the b axis. Parallel chains are linked in an obverse fashion by weak C—H⋯S hydrogen bonds. C—H⋯O hydrogen bonds together with C—H⋯π contacts further consolidate the structure, stacking mol­ecules along the b axis.
doi:10.1107/S1600536812030243
PMCID: PMC3414302  PMID: 22904835
5.  6-Hy­droxy-7,8-dimethyl­chroman-2-one 
The title compound, C11H12O3, is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the mol­ecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyran­one ring adopts a flattened chair conformation. In the crystal, O—H⋯O hydrogen bonds and C—H⋯O contacts form R 1 2(6) rings and link mol­ecules into chains along b. Additional C—H⋯O contacts generate inversion dimers, with R 2 2(8) ring motifs, and form sheets parallel to (-102) which are linked by C—H⋯π interactions.
doi:10.1107/S1600536812029704
PMCID: PMC3414271  PMID: 22904804
6.  5,6-Dimethyl-1,2,9,10-tetra­hydro­pyrano[3,2-f]chromene-3,8-dione 
The title mol­ecule, C14H14O4, lies on a twofold rotation axis that bis­ects the central benzene ring, with only one half-mol­ecule in the asymmetric unit. The pyran­one systems adopt distorted twist- boat conformations, with the two methyl­ene C atoms displaced by 0.537 (1) and 0.163 (2) Å from the best-fit plane through the remaining five C and O atoms (r.m.s. deviation = 0.073 Å). In the crystal, bifurcated C—H⋯(O,O) hydrogen bonds link pairs of adjacent mol­ecules in an obverse fashion, stacking mol­ecules along c. These contacts are further stabilized by very weak π–π inter­actions between adjacent benzene rings with centroid–centroid distances of 4.1951 (4) Å. Additional C—H⋯O contacts link these stacks, giving a three-dimensional network.
doi:10.1107/S1600536812027699
PMCID: PMC3394011  PMID: 22798876
7.  4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one 
The title compound, C7H6OS, crystallizes with two similar mol­ecules, 1 and 2, in the asymmetric unit. Both mol­ecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 Å for the planes through the nine non-H atoms of mol­ecules 1 and 2, respectively. The thio­phene and 4,5-dihydro­cyclo­penta­dienone rings are inclined at 2.40 (13)° in 1 and 0.64 (13)° in 2. In the crystal structure π–π [3.6542 (17) Å] and C—H⋯π contacts stack the mol­ecules into columns in an inverse fashion along the b axis. An extensive series of C—H⋯O hydrogen bonds links the columns, generating an extended network structure.
doi:10.1107/S1600536811056042
PMCID: PMC3275050  PMID: 22346995
8.  2-Chloro-N-(4-meth­oxy­phen­yl)benzamide 
In the title compound, C14H12ClNO2, the chloro- and meth­oxy-substituted benzene rings are close to orthogonal [dihedral angle = 79.20 (3)°]. These rings also make angles of 45.9 (3) and 33.5 (3)° with the amide –CONH– unit. The meth­oxy substituent lies close to the meth­oxy­benzene ring plane, with a maximum deviation of 0.142 (3) Å for the methyl C atom. The N—H bond is anti to the 2-chloro substituent of the aniline ring. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds form C(4) chains augmented by a weak C—H⋯O inter­action involving an ortho H atom of the meth­oxy benzene ring that generates an R 2 1(6) motif. The chains stack the mol­ecules into columns down the b axis. Adjacent columns are linked by additional C—H⋯O and C—H⋯π contacts, generating a three-dimensional network.
doi:10.1107/S1600536810043035
PMCID: PMC3009019  PMID: 21589131
9.  A monoclinic polymorph of N-(3-chloro­phen­yl)benzamide 
The title compound, C13H10ClNO, (I), is a polymorph of the structure, (II), first reported by Gowda et al. [Acta Cryst. (2008), E64, o462]. In the original report, the compound crystallized in the ortho­rhom­bic space group Pbca (Z = 8), whereas the structure reported here is monoclinic P21/c (Z = 4). The principal difference between the two forms lies in the relative orientations of the phenyl and benzene rings [dihedral angle = 8.90 (13)° for (I) and 61.0 (1)° for (II)]. The inclination of the amide –CONH– units to the benzoyl ring is more similar [15.8 (7)° for (I) and 18.2 (2)° for (II)]. In both forms, the N—H bonds are anti to the 3-chloro substituents of the aniline rings. In the crystal, inter­molecular N—H⋯O hydrogen bonds form C(4) chains along c. These chains are bolstered by weak C—H⋯O inter­actions that generate R 2 1(6) and R 2 1(7) ring motifs.
doi:10.1107/S1600536810040262
PMCID: PMC3008970  PMID: 21589001
10.  N-Methacryloyl-4-(piperidin-1-yl)-1,8-naphthalimide 
In the title compound, C21H20N2O3, the naphthalimide unit is almost planar (r.m.s. deviation for the 15 non-H atoms = 0.059 Å). The carboximide N atom and the five C atoms of the 2-methyl­prop-2-enoyl substituent also lie in a plane (r.m.s. deviation = 0.009 Å), which subtends an angle of 84.34 (7)° to the naphthalamide plane. This orients the =CH2 group of the vinyl fragment towards the naphthalimide rings, giving the mol­ecule an extended configuration. The piperidine ring adopts a chair conformation and there is evidence for some delocalization between the naphthalene and piperidine units, the C—Npip bond length being 1.404 (4) Å. In the crystal structure, π–π contacts with centroid–centroid distances of 3.5351 (18) and 3.7794 (18) Å supported by C—H⋯O hydrogen bonds link adjacent mol­ecules in a head-to-tail fashion, forming dimers. These are further stabilized by other C—H⋯O contacts of varying strength, which stack the mol­ecules down the b axis.
doi:10.1107/S1600536810018994
PMCID: PMC2979536  PMID: 21579543
11.  Methyl 3,5-dibromo-4-methyl­benzoate 
In the title compound, C9H8Br2O2, the mol­ecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxyl­ate substituent. In the crystal structure, weak C—H⋯Br hydrogen bonds and weak inter­molecular O⋯Br contacts [3.095 (2) Å], link adjacent mol­ecules into layers parallel to (102). Additional weak inter­molecular C—H⋯O hydrogen bond inter­actions stack the layers above and below the mol­ecular plane and down the a axis.
doi:10.1107/S1600536810011062
PMCID: PMC2983755  PMID: 21580779
12.  2-Methyl-N-p-tolyl­benzamide: a second monoclinic polymorph 
The title compound, C15H15NO, (I), is a polymorph of the structure (II) reported by Gowda et al. [Acta Cryst. (2008), E64, o1494]. Compound (II) crystalllizes in the space group C2/c (Z = 8), whereas the title compound occurs in space group P21/c (Z = 4). The two mol­ecular structures differ slightly in the relative orientations of their central amide group with respect to the benzoyl ring [dihedral angles of 55.99 (7) for (I) and 59.96 (11)° for (II)] and in the inclination of the benzoyl and aniline rings [88.67 (8) for (I) and 81.44 (5)° for (II)]. In the crystal structure of (I), mol­ecules are linked by N—H⋯O hydrogen bonds, forming C(4) chains, which are augmented by weak C—H⋯O inter­actions. The structure is further stabilized by C—H⋯π contacts involving both of the aromatic rings.
doi:10.1107/S1600536810010378
PMCID: PMC2983768  PMID: 21580722
13.  N-(2-Fluoro­phen­yl)cinnamamide 
The title compound, C15H12FNO, was prepared by the reaction of cinnamoyl chloride with 4-fluoro­aniline and crystallizes with two mol­ecules A and B in the asymmetric unit. The two unique mol­ecules are closely similar and overlay with an r.m.s. deviation of 0.0819 Å. The fluoro­benzene and phenyl rings are inclined to one another at 73.89 (7) and 79.46 (7)°, respectively, in mol­ecules A and B. The amide C—N—C(O)—C portions of the mol­ecules are planar (r.m.s. deviations = 0.035 and 0.028 Å) and are inclined at 45.51 (9) and 47.71 (9), respectively, to the fluoro­benzene rings in mol­ecules A and B. The 2-fluoro­acetamide units and the benzene rings each adopt E configurations with respect to the C=C bonds. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds augmented by weak C—H⋯π inter­actions link mol­ecules into rows in a head-to-tail fashion along a. Additional weak C—H⋯O contacts further stabilize the packing, forming a three-dimensional network stacked down a.
doi:10.1107/S1600536810003867
PMCID: PMC2983731  PMID: 21580305
14.  4-Chloro-N-(2-methoxy­phen­yl)benzamide 
The title compound, C14H12ClNO2, was prepared by refluxing 4-chloro­benzoyl chloride with o-anisidine in CHCl3. The methoxy­phen­yl–amide segment of the mol­ecule is almost planar, with a dihedral angle of 5.10 (7)° between the benzene ring and the C—N—C(O)—C fragment. A weak intra­molecular N—H⋯O contact forms an S(5) ring and contributes to the planarity of this portion of the mol­ecule. The two benzene rings are inclined at an angle of 26.74 (7)°. In the crystal structure, inter­molecular Cl⋯O inter­actions of 3.1874 (9) Å generate centrosymmetric dimers. These are further linked by C—H⋯O and C—H⋯π inter­actions, forming inversion related sheets parallel to [001].
doi:10.1107/S160053680905394X
PMCID: PMC2980066  PMID: 21580098
15.  Editorial 
doi:10.1107/S1600536809051757
PMCID: PMC2980207  PMID: 21579902
16.  N-Cyclo­hexyl-N-ethyl-4-methyl­benzene­sulfonamide 
The title compound, C15H23NO2S, contains cyclo­hexyl and ethyl substituents on the sulfonamide N atom and the cyclo­hexyl ring adopts a classic chair conformation. The dihedral angle between the benzene ring plane and the mean plane through the six atoms of the cyclo­hexyl ring is 59.92 (6)°. In the crystal structure, C—H⋯O hydrogen bonds link mol­ecules into sheets extending in the bc plane.
doi:10.1107/S1600536809052593
PMCID: PMC2980259  PMID: 21579993
17.  2-Methyl-N-o-tolyl­benzamide 
In the title compound, C15H15NO, the C—N—C(O)—C amide unit is planar (r.m.s. deviation = 0.003 Å) and subtends dihedral angles of 44.71 (5) and 43.33 (5)° with the two o-tolyl rings. These aromatic rings are inclined at 4.94 (7)° to one another. The ortho-methyl groups of the two tolyl rings are anti to one another. In the crystal structure, N—H⋯O hydrogen bonds augmented by C—H⋯π inter­actions link the mol­ecules in a head-to-head fashion into chains along a. Independent chains pack in a herringbone pattern along c.
doi:10.1107/S1600536809050946
PMCID: PMC2980266  PMID: 21580074
18.  2-[(N-Benzyl-4-methyl­benzene­sul­fon­amido)meth­yl]pyridinium nitrate 
In the title compound, C20H21N2O2S+·NO3 −, the dihedral angle between the pyridinium and phenyl rings is 81.77 (19)°, that between the pyridinium and tolyl rings is 1.36 (18)°, and that between the phenyl and tolyl rings is 82.69 (19)°. In the crystal, the components are linked by strong charge-assisted bifurcated N+—H⋯(O,O) hydrogen bonds and the packing is consolidated by numerous weak C—H⋯O bonds and π–π stacking inter­actions [for the latter, centroid–centroid separation = 3.868 (2) Å].
doi:10.1107/S1600536809042330
PMCID: PMC2971041  PMID: 21578405
19.  2,4-Dichloro-N-p-tolyl­benzamide 
In the title compound, C14H11Cl2NO, the C—N—C(=O)—C amide unit is almost planar (r.m.s. deviation = 0.0317 Å) and subtends dihedral angles of 65.93 (6) and 29.45 (7)°, respectively, to the dichloro­benzene and tolyl rings. The two aromatic rings are inclined at 37.92 (6)° to one another. In the crystal structure, N—H⋯O hydrogen bonds link the mol­ecules into chains along b. Additional weak C—H⋯Cl and C—H⋯O hydrogen bonds combine with C—H⋯π and very weak π–π contacts [Cg⋯Cg distance = 4.0217 (12) Å] to stack the mol­ecules down b.
doi:10.1107/S1600536809034710
PMCID: PMC2970402  PMID: 21577972
20.  N-(2-Nitro­phen­yl)benzamide 
In the title compound, C13H10N2O3, the central C–C(=O)–N–C amide unit makes dihedral angles of 21.68 (4) and 19.08 (4)°, respectively, with the phenyl and nitro­benzene rings. The two aromatic rings are inclined at 3.74 (3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55 (8)°. An intra­molecular N—H⋯O inter­action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C—H⋯O contacts generate two centrosymmetric ring systems with R 2 2(14) and R 2 2(20) graph-set motifs, forming zigzag chains down the a axis. π–π inter­actions between adjacent phenyl and nitro­benzene rings [centroid–centroid distance = 3.6849 (6) Å] also form centrosymmetric dimers. These and an additional C—H⋯O hydrogen bond generate an extensive three-dimensional network structure.
doi:10.1107/S1600536809024271
PMCID: PMC2977104  PMID: 21583545
21.  N-(4-tert-Butyl­benz­yl)phthalimide 
The mol­ecule of the title compound [systematic name: 2-(4-tert-butyl­benz­yl)isoindoline-1,3-dione], C19H19NO2, is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, inter­molecular C—H⋯O hydrogen bonds link adjacent mol­ecules into centrosymmetric dimers. An additional weak C—H⋯O contact, together with weak C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.961 (2) Å] generate a three-dimensional network.
doi:10.1107/S1600536809025343
PMCID: PMC2977282  PMID: 21583486
22.  2-(Methoxy­carbon­yl)anilinium dihydrogen phosphate 
The title compound, C8H10NO2 +·H2PO4 −, is a derivative of the naturally occurring compound methyl­anthranilate. The asymmetric unit comprises the 2-(methoxy­carbon­yl)anilinium cation and the dihydrogen phosphate anion. In the cation, the dihedral angle between the benzene ring plane and that through the methyl ester substituent is 22.94 (9)°. In the crystal, adjacent cations and anions form dimers through N—H⋯O and O—H⋯O hydrogen bonds, respectively. Additional N—H⋯O and C—H⋯O contacts result in a network of cation and anion dimers stacked down the b axis.
doi:10.1107/S1600536809025252
PMCID: PMC2977506  PMID: 21583492
23.  1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea 
With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C12H14ClN3O3S, lie on a mirror plane. The 2-chloro-5-nitro­phenyl and 2,2-dimethyl­propionyl substituents are, respectively, cis and trans relative to the thio­carbonyl S atom across the two C—N bonds. Intra­molecular N—H⋯O and C—H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N—H subsituents, no inter­molecular hydrogen bonds are observed in the crystal structure. Weak π–π contacts [centroid–centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol­ecules in a head-to-tail fashion above and below the mol­ecular plane.
doi:10.1107/S1600536809024672
PMCID: PMC2977335  PMID: 21583450
24.  2,4-Dichloro-N-o-tolyl­benzamide 
In the title compound, C14H11Cl2NO, the central C—C(O)—N—C amide unit makes dihedral angles of 68.71 (11) and 54.92 (12)°, respectively, with the dichloro­benzene and tolyl rings. The two aromatic rings are inclined at 16.25 (17)°. In the crystal, N—H⋯O hydrogen bonds link mol­ecules into zigzag chains propagating in [001]. C—H⋯Cl contacts link these chains and additional C—H⋯O contacts generate stacks down b. Weak C—H⋯π and C—Cl⋯π inter­actions [Cl⋯centroid distance = 3.5422 (15) Å] may also stabilize the structure.
doi:10.1107/S1600536809022752
PMCID: PMC2969429  PMID: 21582906
25.  1,4-Bis(iodo­meth­yl)benzene 
The centrosymmetric title compound, C8H8I2, was prepared by metathesis from the dibromo analogue. In the crystal structure, weak C—H⋯I inter­actions link the mol­ecules into stacks down the b axis. The structure is further stabilized by short I⋯I contacts [3.8433 (2) Å], forming undulating sheets in the (101) plane.
doi:10.1107/S1600536809021151
PMCID: PMC2969495  PMID: 21582852

Results 1-25 (44)