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1.  4-[(4-Bromo­phenyl)amino]-2-methyl­idene-4-oxo­butanoic acid 
In the title compound, C11H10BrNO3, two independent mol­ecules (A and B) crystallize in the asymmetric unit. The dihedral angles between the mean planes of the 4-bromo­phenyl ring and amide group are 24.8 (7) in mol­ecule A and 77.1 (6)° in mol­ecule B. The mean plane of the methyl­idene group is further inclined by 75.6 (4) in mol­ecule A and 72.5 (6)° in mol­ecule B from that of the amide group. In the crystal, N—H⋯O hydrogen bonds formed by amide groups and O—H⋯O hydrogen bonds formed by carb­oxy­lic acid groups are observed and supported additionally by weak C—H⋯O inter­actions between the methyl­idene and amide groups. Together, these link the mol­ecules into chains of dimers along [110] and form R 2 2(8) graph-set motifs.
doi:10.1107/S1600536814012872
PMCID: PMC4120590  PMID: 25161566
2.  4-[(4-Acetyl­phen­yl)amino]-2-methyl­idene-4-oxo­butanoic acid 
In the title compound, C13H13NO4, the N—C(=O) bond length of 1.354 (2) Å is indicative of amide-type resonance. The dihedral angle between the mean planes of the benzene ring and oxo­amine group is 36.4 (3)°, while the mean plane of the 2-methyl­idene group is inclined by 84.2 (01)° from that of the oxo­amine group. In the crystal, classical O—H⋯O hydrogen bonds formed by the carb­oxy­lic acid groups and weak N—H⋯O weak inter­actions formed by the amide groups and supported by weak C—H⋯O inter­actions between the 2-methyl­idene, phenyl and acetyl groups with the carb­oxy­lic acid, oxo­amine and acetyl O atoms, together link the mol­ecules into dimeric chains along [010]. The O—H⋯O hydrogen bonds form R 2 2(8) graph-set motifs.
doi:10.1107/S1600536814012562
PMCID: PMC4120591  PMID: 25161547
3.  2-(2-Methyl­phen­yl)-N-(1,3-thia­zol-2-yl)acetamide 
In the title compound, C12H12N2OS, the dihedral angle between the benzene and thia­zole rings is 83.5 (7)°. The acetamide group is almost coplanar with the thia­zole ring, being twisted from it by 4.2 (9)°. In the crystal, pairs of N—H⋯N hydrogen bonds link mol­ecules into inversion dimers, generating R 2 2[8] loops; the dimers are stacked along [001].
doi:10.1107/S1600536814011684
PMCID: PMC4051114  PMID: 24940286
4.  4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid 
The title compound, C12H12FNO3, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methyl­phenyl ring and the oxo­amine group is 25.7 (7)° in mol­ecule A and 71.3 (7)° in mol­ecule B, while the mean plane of the 2-methyl­idene-4-oxo­butanoic acid group is twisted by 76.2 (1)° from that of the oxo­amine group in mol­ecule A and by 76.2 (4)° in mol­ecule B. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds [the latter forming an R 2 2(8) graph-set motif] link the mol­ecules into a two-dimensional network parallel to the ac plane.
doi:10.1107/S160053681302998X
PMCID: PMC3885031  PMID: 24454206
5.  N-(1,3-Benzo­thia­zol-2-yl)acetamide 
The title compound, C9H8N2OS, crystallizes with two mol­ecules (A and B) in the asymmetric unit. The dihedral angles between the mean planes of the 1,3-benzo­thia­zol-2-yl ring system and the acetamide group are 2.7 (4) (mol­ecule A) and 7.2 (2) Å (mol­ecule B). In the crystal, pairs of N—H⋯N hydrogen bonds link the A and B mol­ecules into dimers, generating R 2 2(8) loops. The dimers stack along [100].
doi:10.1107/S160053681302730X
PMCID: PMC3884296  PMID: 24454072
6.  2-(4-Bromo­phen­yl)-N-(pyrazin-2-yl)acetamide 
In the title compound, C12H10BrN3O, the dihedral angle between the mean planes of the 4-bromo­phenyl and pyrazin-2-yl rings is 54.6 (3)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) graph-set motif. In the crystal, weak N—H⋯N hydrogen bonds link the mol­ecules into chains along [100]. The chains are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to the ab plane.
doi:10.1107/S1600536813012531
PMCID: PMC3685048  PMID: 23795067
7.  2-(3,4-Dichloro­phen­yl)-N-(1,3-thia­zol-2-yl)acetamide 
In the title compound, C11H8Cl2N2OS, the mean plane of the dichloro­phenyl ring is twisted by 61.8 (1)° from that of the thia­zole ring. In the crystal, mol­ecules are linked via pairs of N—H⋯N hydrogen bonds with an R 2 2(8) graph-set motif, forming inversion dimers which stack along the a-axis direction.
doi:10.1107/S1600536813008374
PMCID: PMC3647844  PMID: 23723810
8.  2-(2,4-Di­chloro­phen­yl)-N-(1,3-thia­zol-2-yl)acetamide 
In the title compound, C11H8Cl2N2OS, the mean plane of the di­chloro­phenyl ring is twisted by 72.4 (1)° from that of the thia­zole ring. In the crystal, mol­ecules are linked via pairs of N—H⋯N hydrogen bonds with an R 2 2(8) graph-set motif and weak C—H⋯O inter­actions, forming inversion dimers which stack along the c-axis direction.
doi:10.1107/S1600536813008532
PMCID: PMC3647853  PMID: 23723819
9.  2-(2,6-Dichloro­phen­yl)-N-(1,3-thia­zol-2-yl)acetamide 
In the title compound, C11H8Cl2N2OS, the mean plane of the dichloro­phenyl ring is twisted by 79.7 (7)° from that of the thia­zole ring. In the crystal, molecules are linked via pairs of N—H⋯N hydrogen bonds, forming inversion dimers which stack along the a-axis direction.
doi:10.1107/S1600536813006260
PMCID: PMC3629579  PMID: 23634066
10.  2-(3,4-Dichloro­phen­yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide 
In the title compound, C19H17Cl2N3O2, there are three mol­ecules (A, B and C) in the asymmetric unit and each differs in the conformation adopted. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro­phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 44.5 (2) and 56.2 (2)°, respectively in A, 51.1 (2) and 54.1 (2)° in B, and 53.8 (2) and 54.6 (2)° in C. The dihedral angles between the dichloro­phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings are 54.8 (2), 76.2 (2) and 77.5 (2)° in mol­ecules A, B and C, respectively, while the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings make dihedral angles of 45.3 (2), 51.2 (2) and 42.8 (2)°, respectively. In the crystal, two of the mol­ecules are linked through N—H⋯O hydrogen bonding to an adjoining mol­ecule, forming dimers of the R 2 2(10) type, while the third mol­ecule forms such dimers with itself. C—H⋯O inter­actions link the dimers.
doi:10.1107/S1600536813002341
PMCID: PMC3588482  PMID: 23476584
11.  A second monoclinic polymorph of 4-[(E)-(4-benzyl­oxybenzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one 
In the title compound, C25H23N3O2, the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71 (2):0.29 (2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6 (3) and 352.0 (6)/349.5 (15)°. In the crystal, mol­ecules are packed into layers parallel to the ac plane. The other monoclinic polymorphic form was reported recently [Dutkiewicz et al. (2012 ▶). Acta Cryst. E68, o1324].
doi:10.1107/S1600536812050891
PMCID: PMC3588271  PMID: 23476378
12.  4-(4-Iodo­anilino)-2-methyl­ene-4-oxo­butanoic acid 
In the title compound, C11H10INO3, an addition product of itaconic acid anhydride and 4-iodo­aniline, the least-squares planes defined by the atoms of the aromatic moiety and the non-H atoms of the carb­oxy­lic acid group enclose an angle of 74.82 (11)°. In the crystal, classical O—H⋯O hydrogen bonds formed by carb­oxy­lic groups, as well as N—H⋯O hydrogen bonds formed by amide groups, are present along with C—H⋯O contacts. Together, these connect the mol­ecules into dimeric chains along the b-axis direction.
doi:10.1107/S160053681205012X
PMCID: PMC3588263  PMID: 23476465
13.  [3-Benzoyl-2,4-bis­(3-nitro­phen­yl)cyclo­but­yl](phen­yl)methanone 
The asymmetric unit of the title compound, C30H22N2O6, comprises a half-mol­ecule of the cyclo­butane derivative. The least-squares planes defined by the respective C atoms of the aromatic substituents inter­sect at angles of 76.81 (7) and 89.22 (8)° with the least-squares plane defined by the C atoms of the cyclo­butane ring. In the crystal, C—H⋯O contacts connect the mol­ecules into a three-dimensional network. The shortest centroid–centroid distance between the two different aromatic rings is 3.9601 (8) Å.
doi:10.1107/S1600536812044650
PMCID: PMC3588821  PMID: 23468786
14.  (2E)-3-[4-(Benz­yloxy)phen­yl]-1-(pyridin-3-yl)prop-2-en-1-one 
The title compound, C21H17NO2, exists in an E conformation with respect to the C=C bond. The pyridine ring forms dihedral angles of 5.57 (7) and 82.30 (9)°, respectively, with the central benzene ring and the terminal phenyl ring. The dihedral angle between the benzene and phenyl rings is 87.69 (8)°. No significant inter­molecular inter­actions are observed.
doi:10.1107/S1600536812034897
PMCID: PMC3435737  PMID: 22969608
15.  N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl­sulfan­yl)phen­yl]acetamide 
In the title compound, C20H21N3O2S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The mol­ecular conformation is consolidated by an intra­molecular C—H⋯O hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯Op (p = pyrazole) hydrogen bonds generate R 2 2(10) loops. The dimers are linked by C—H⋯O hydrogen bonds into sheets lying parallel to (100).
doi:10.1107/S1600536812034605
PMCID: PMC3435699  PMID: 22969570
16.  2-(4-Bromo­phen­yl)-N-(2,6-dimethyl­phen­yl)acetamide 
In the title compound, C16H16BrNO, the dihedral angle between the benzene rings is 69.8 (2)°. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into C(4) chains propagating in [100]. Adjacent mol­ecules in the chains are also linked by C—H⋯O inter­actions which, along with the N—H⋯O hydrogen bonds, generate R 2 1(6) loops.
doi:10.1107/S1600536812034617
PMCID: PMC3435700  PMID: 22969571
17.  2-(4-Chloro­phen­yl)-N-(1,3-thia­zol-2-yl)acetamide 
In the title compound, C11H9ClN2OS, the thia­zole ring is nearly planar (r.m.s. deviation = 0.003 Å) and forms a dihedral angle of 64.18 (7)° with the bezene ring. In the crystal, inversion dimers linked by pairs of N—H⋯Nt (t = thia­zole) hydrogen bonds generate R 2 2(8) loops.
doi:10.1107/S1600536812034629
PMCID: PMC3435701  PMID: 22969572
18.  N-(2-Bromo­phen­yl)-2-(naphthalen-1-yl)acetamide 
In the title compound, C18H14BrNO, the naphthalene ring system [maximum deviation = 0.015 (3) Å] forms a dihedral angle of 67.70 (10)° with the benzene ring. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into C(4) chains propagating in [100]. A C—H⋯O inter­action reinforces the chain connectivity, generating an R 2 1(6) loop.
doi:10.1107/S1600536812034423
PMCID: PMC3435683  PMID: 22969554
19.  (2E)-3-(2-Fluoro­phen­yl)-1-(4-fluoro­phen­yl)prop-2-en-1-one 
In the title compouund, C15H10F2O, the mol­ecule exists in an E conformation with respect to the C=C bond [1.3382 (16) Å]. The dihedral angle between the fluoro-substituted benzene rings is 6.80 (6)° and the whole mol­ecule is roughly planar (r.m.s. deviation for the non-H atoms = 0.069 Å). In the crystal, mol­ecules are linked by C—H⋯F and C—H⋯O inter­actions into sheets lying parallel to the bc plane.
doi:10.1107/S1600536812034411
PMCID: PMC3435684  PMID: 22969555
20.  2,2-Diphenyl-N-(2,4,5-trichloro­phen­yl)acetamide 
The asymmetric unit of the title compound, C20H14Cl3NO, consists of two independent mol­ecules. In one mol­ecule, the chlorinated benzene ring forms dihedral angles of 12.00 (9) and 77.04 (9)° with the phenyl rings. The dihedral angle between the phenyl rings is 80.37 (10)°. The corresponding dihedral angles for the other mol­ecule are 26.34 (10), 62.98 (10) and 88.47 (11)°, respectively. One of the mol­ecules features an intra­molecular C—H⋯O hydrogen bond, which forms an S(6) ring motif. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into [100] chains. The chains are further linked by C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional network.
doi:10.1107/S160053681203440X
PMCID: PMC3435685  PMID: 22969556
21.  2-(2-Fluoro­phen­yl)-N-(1,3-thia­zol-2-yl)acetamide 
In the title compound, C11H9FN2OS, the 1,3-thia­zole ring is planar (r.m.s. deviation = 0.007 Å) and forms a dihedral angle of 73.75 (5)° with the benzene ring. In the crystal, mol­ecules are linked via pairs of N—H⋯N and C—H⋯F hydrogen bonds into chains along [100].
doi:10.1107/S1600536812032989
PMCID: PMC3415006  PMID: 22904993
22.  2-(4-Bromo­phen­yl)-N-(5-methyl­pyridin-2-yl)acetamide 
The asymmetric unit of the title compound, C14H13BrN2O, consists of two mol­ecules; the dihedral angles between the pyridine and benzene rings are 87.99 (9) and 84.28 (9)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring in each mol­ecule. In the crystal, mol­ecules are linked via N—H⋯N and C—H⋯O hydrogen bonds into a three-dimensional network. The crystal structure also features weak π–π stacking inter­actrions between the benzene rings [centroid-to-centroid distance = 3.6829 (12) Å].
doi:10.1107/S1600536812032631
PMCID: PMC3414974  PMID: 22904961
23.  N-(4-Chloro­phen­yl)-2,2-diphenyl­acetamide 
In the title compound, C20H16ClNO, an S(6) ring motif is formed via an intra­molecular C—H⋯O hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, mol­ecules are linked into chains parallel to the c axis by inter­molecular N—H⋯O hydrogen bonds. The crystal packing also features weak C—H⋯π inter­actions involving the chloro-substituted ring.
doi:10.1107/S1600536812032965
PMCID: PMC3414999  PMID: 22904986
24.  2-(4-Bromo­phen­yl)-N-(3-chloro-4-fluoro­phen­yl)acetamide 
In the title compound, C14H10BrClFNO, the benzene rings form a dihedral angle of 64.0 (2)°. In the crystal, mol­ecules are linked via inter­molecular N—H⋯O, C—H⋯O, C—H⋯Cl and C—H⋯F hydrogen bonds into layers parallel to (001). The crystal was refined as a merohedral twin with a 0.935 (114):0.065 (14) domain ratio.
doi:10.1107/S1600536812032977
PMCID: PMC3415000  PMID: 22904987
25.  1-(2,4-Difluoro­phen­yl)thio­urea 
The asymmetric unit of the title compound, C7H6F2N2S, consists of two independent mol­ecules, with comparable geometries. In one mol­ecule, the thio­urea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other mol­ecule are 0.011 Å and 81.71 (8)°, respectively. In both mol­ecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, mol­ecules are linked via N—H⋯S and C—H⋯F hydrogen bonds into two-dimensional networks parallel to (010).
doi:10.1107/S1600536812031625
PMCID: PMC3414916  PMID: 22904903

Results 1-25 (45)