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1.  4-Bromo-N-(4-meth­oxy-2-nitro­phen­yl)benzamide 
In the title compound, C14H11BrN2O4, the amide segment makes dihedral angles of 23.4 (2) and 20.5 (2)° with the benzene rings, while the dihedral angle between the bezene rings is 2.90 (8)°. The nitro and meth­oxy groups are almost coplanar with their bound benzene ring, with the r.m.s. deviation for the 11 non-H atoms being 0.0265 (1) Å. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked into [2-10] chains by weak C—H⋯O and C—H⋯Br inter­actions, which form an R 2 2(8) motif between pairs of mol­ecules in the chain. A Br⋯O [3.2018 (12) Å] short contact also occurs.
doi:10.1107/S1600536812010963
PMCID: PMC3344164  PMID: 22606167
2.  2-(2-Meth­oxy­phen­oxy)-3-nitro­pyridine 
In the title compound, C12H10N2O4, the pyridine and benzene rings are almost orthogonal, forming a dihedral angle of 86.63 (6)°. Each of the nitro [O—N—C—C torsion angle = −6.45 (19)°] and meth­oxy [C—O—C—C torsion angle = 179.69 (11)°] groups is almost coplanar with the ring to which it is connected. Mol­ecules are consolidated in the crystal structure via C—H⋯O inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536811045247
PMCID: PMC3238845  PMID: 22199698
3.  2-(2-Meth­oxy­phen­oxy)pyrazine 
A significant twist is observed in the title molecule, C11H10N2O2, as seen in the dihedral angle between the pyrazine and benzene rings of 72.79 (8)°. The meth­oxy group is almost coplanar with the benzene ring to which it is attached [C—O—C—C torsion angle = 175.83 (15)°]. Centrosymmetric dimers are formed in the crystal structure which are held together by weak π–π inter­actions between pyrazine rings [centroid–centroid distance = 3.8534 (10) Å].
doi:10.1107/S1600536811044321
PMCID: PMC3247475  PMID: 22220093
4.  Methyl (2Z)-2-(2-fluoro-4-meth­oxy­benzyl­idene)-5-(4-meth­oxy­phen­yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate 
The asymmetric unit of the title compound, C24H21FN2O5S, consists of two crystallographically independent mol­ecules. In each mol­ecule, the central dihydro­pyrimidine ring is significantly puckered and adopts a conformation which is best described as an inter­mediate between a boat and a screw boat. The least-squares planes of the dihydro­pyrimidine rings are almost coplanar with the fluoro-substituted benzene rings, making dihedral angles of 9.04 (7) and 6.68 (7)°, and almost perpendicular to the meth­oxy-substituted benzene rings with dihedral angles of 89.23 (7) and 88.30 (7)°. In the mol­ecular structure, S(6) ring motifs are formed by C—H⋯O and C—H⋯S hydrogen bonds. In the crystal, mol­ecules are linked into a three-dimensional network by inter­molecular C—H⋯O and C—H⋯F hydrogen bonds. The crystal structure is further stabilized by a C—H⋯π inter­action.
doi:10.1107/S1600536811025141
PMCID: PMC3212305  PMID: 22090962
5.  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
6.  (4E)-N-[(2-Bromo­phen­yl)meth­oxy]-1,3-dimethyl-2,6-diphenyl­piperidin-4-imine 
In the title compound, C26H27BrN2O, the piperidine ring has a chair conformation and all ring substituents occupy equatorial positions, apart from the double-bonded N atom, which occupies a bis­ectional position. The dihedral angle formed between the phenyl rings is 61.18 (19)°, and the phenyl rings form dihedral angles of 49.78 (19) and 69.2 (18)° with the bromo­benzene ring. The latter is coplanar with the meth­oxy(methyl­idene)amine fragment [N—O—C—C torsion angle = −171.7 (2)°]. Linear supra­molecular chains, approximately along [112], sustained by C—H⋯π inter­actions, feature in the crystal packing.
doi:10.1107/S1600536812028887
PMCID: PMC3394050  PMID: 22798915
7.  (2E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(2,6-difluoro­phen­yl)prop-2-en-1-one 
In the title compound, C28H18F4O2, the central benzene ring makes dihedral angles of 44.27 (6), 56.33 (5) and 77.27 (6)° with the two adjacent fluoro­benzene rings and terminal difluoro-substituted benzene ring, respectively. The dihedral angle between the fluoro­benzene rings is 87.81 (6)°. The meth­oxy and prop-2-en-1-one groups are essentially coplanar with their attached benzene rings, as indicated by their C—O—Car—Car [−0.06 (15)°] and C—C—Car—Car [4.5 (2)°] (ar = aromatic) torsion angles. In the crystal, mol­ecules are linked by C—H⋯F and C—H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal structure also features C—H⋯π inter­actions.
doi:10.1107/S160053681201820X
PMCID: PMC3344658  PMID: 22590420
8.  6-(4-Amino­phen­yl)-4-(4-eth­oxy­phen­yl)-2-meth­oxy­nicotinonitrile 
In the title mol­ecule, C21H19N3O2, the central pyridine ring makes dihedral angles of 14.46 (9) and 34.67 (8)° with the 4-amino- and 4-eth­oxy-substituted benzene rings, respectively. The eth­oxy group is essentially coplanar with the attached benzene ring [C—O—C—C torsion angle = 178.70 (16)°] as is the meth­oxy group with the pyridine ring [C—O—C—N torsion angle = −3.0 (3)°]. In the crystal, mol­ecules are linked by N—H⋯N hydrogen bonds into chains along [201]. Weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions are also present.
doi:10.1107/S1600536812036276
PMCID: PMC3435837  PMID: 22969683
9.  (E)-Methyl 3-(3,4-dimeth­oxy­phen­yl)-2-[(1,3-dioxoisoindolin-2-yl)meth­yl]acrylate 
In the title compound, C21H19NO6, the isoindole ring system is essentially planar [maximum deviation = 0.019 (2) Å for the N atom] and is oriented at a dihedral angle of 51.3 (1)° with respect to the benzene ring. The two meth­oxy groups are almost coplanar with the attached benzene ring [C—O—C—C = 3.7 (4) and 4.3 (4)°]. The mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(9) ring motif. In the crystal, mol­ecules are linked through bifurcated C—H⋯(O,O) hydrogen bonds having R 1 2(5) ring motifs, forming chains along the b-axis direction. The crystal packing is further stabilzed by π–π inter­actions [centriod–centroid distance = 3.463 (1) Å].
doi:10.1107/S1600536812010975
PMCID: PMC3344056  PMID: 22589965
10.  (2,4-Dihy­droxy-6-meth­oxy­phen­yl)(3,5-dihy­droxy­phen­yl)methanone monohydrate 
The title benzophenone compound, C14H12O6·H2O, was isolated from the bark of Garcinia hombroniana Pierre (Guttiferae). The mol­ecule is twisted, the dihedral angle between the two benzene rings being 59.13 (7)°. The meth­oxy group is approximately coplanar with the attached benzene ring, with a C—O—C—C torsion angle of 1.91 (18)°. The water mol­ecule is disordered over two positions in a 0.555 (19):0.445 (19) ratio. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by inter­molecular O—H⋯O hydrogen bonds. These inter­actions link the mol­ecules into sheets parallel to the ac plane. The sheets are stacked along the b axis by π–π inter­actions, with centroid–centroid distances of 3.6219 (7) Å. A weak O—H⋯π inter­action was also noted.
doi:10.1107/S1600536811037913
PMCID: PMC3201278  PMID: 22065717
11.  N-(4-Chloro­phen­yl)-4-meth­oxy­benzamide 
In the title compound, C14H12ClNO2, the mean plane through the amide group [–N—C=O–] forms dihedral angles of 27.55 (8) and 31.94 (7)° with the meth­oxy- and chloro-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 59.24 (4)°. In the crystal, N—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into chains along the a axis.
doi:10.1107/S1600536812041384
PMCID: PMC3515183  PMID: 23284410
12.  3-(3-Meth­oxy­phen­yl)benzo[d]thia­zolo[3,2-a]imidazol-9-ium hydrogen sulfate 
In the title mol­ecular salt, C16H13N2OS+·HSO4 −, the thia­zolo[3,2-a]benzimidazolium ring system is roughly planar [maximum deviation = 0.046 (3) Å] and makes a dihedral angle of 58.22 (11)° with the benzene ring. The meth­oxy group is almost coplanar with its attached benzene ring [Cmeth­yl—O—C—C = −1.6 (5)°]. In the crystal, the cation is linked to the anion by a bifurcated N—H⋯(O,O) hydrogen bond, generating an R 1 2(4) ring motif. The ion pairs are then connected by a C—H⋯O hydrogen bond into inversion dimers and these dimers are further linked by O—H⋯O hydrogen bonds into an infinite tape along [100]. A π–π stacking inter­action [centroid-to-centroid distance = 3.5738 (18) Å] and a short inter­molecular contact [S⋯O = 2.830 (3) Å] are also observed.
doi:10.1107/S1600536812030541
PMCID: PMC3414329  PMID: 22904862
13.  1-(4-Meth­oxy­phen­yl)-4-(4-methyl­phen­yl)-3-phen­oxy­azetidin-2-one 
The central β-lactam ring of the title compound, C23H21NO3, is almost planar (r.m.s. deviation = 0.032Å). The meth­oxy­benzene ring is almost coplanar with the β-lactam ring [dihedral angle = 1.87 (11)°], whereas the tolyl ring is almost normal to it [75.73 (12)°]. The dihedral angle between the β-lactam ring and the O-bonded phenyl ring is 51.95 (12)°. An intra­molecular C—H⋯O inter­action generates an S(6) ring. The crystal structure features inter­molecular C—H⋯O hydrogen bonds, forming layers parallel to (011), and weak C—H⋯π inter­actions. Two aromatic π–π stacking inter­actions [centroid–centroid distances = 3.6744 (12) and 3.6799 (11) Å] are also observed.
doi:10.1107/S1600536811000663
PMCID: PMC3051730  PMID: 21523012
14.  (E)-N′-(4-Meth­oxy­benzyl­idene)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide 
In the title compound, C14H15N5O4, the central –C=N—N—C(=O)—C– bridge is nearly planar [maximum deviation = 0.037 (1) Å] and forms dihedral angles of 7.37 (9) and 73.33 (5)°, respectively, with the benzene and imidazole rings. The dihedral angle between the benzene and imidazole rings is 66.08 (9)°. The meth­oxy and nitro groups are nearly coplanar with the benzene and imidazole rings, respectively, with a C—O—C—C torsion angle of 5.9 (2)° and an O—N—C—C angle of −0.2 (2)°. In the crystal, mol­ecules are linked by a pair of N—H⋯O hydrogen bonds with an R 2 2(8) ring motif, forming an inversion dimer. The dimers are further inter­connected by C—H⋯O hydrogen bonds into a sheet parallel to the (111) plane. A C—H⋯π inter­action is also observed between the sheets.
doi:10.1107/S1600536812039621
PMCID: PMC3470350  PMID: 23125763
15.  [2,7-Dimeth­oxy-8-(4-meth­oxy­benzo­yl)naphthalen-1-yl](4-meth­oxy­phen­yl)methanone chloro­form monosolvate 
In the title compound, C28H24O6·CHCl3, the two 4-meth­oxy­benzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost anti­parallel, the benzene rings making a dihedral angle of 25.76 (7)°. The naphthalene ring system makes dihedral angles of 72.51 (7) and 73.33 (7)° with the benzene rings. In the crystal, the naphthalene mol­ecules are linked by C—H⋯O inter­actions, forming a helical chain along the b-axis direction. A C—H⋯Cl inter­action is also observed between the aroylated naphthalene and chloro­form mol­ecules. The chloro­form mol­ecule is disordered over two positions with site occupancies of 0.478 (5) and 0.522 (5).
doi:10.1107/S1600536812050799
PMCID: PMC3588358  PMID: 23476400
16.  (E)-1-[2-Hy­droxy-4,6-bis­(meth­oxy­meth­oxy)phen­yl]-3-[3-meth­oxy-4-(meth­oxy­meth­oxy)phen­yl]prop-2-en-1-one 
The title compound, C22H26O9, crystallizes with two independent mol­ecules in the asymmetric unit in which the dihedral angles between the two benzene rings are 21.4 (2) and 5.1 (2)°. An intra­molecular O—H⋯O hydrogen bond occurs in each mol­ecule. Inter­molecular C—H⋯O hydrogen bonds stabilize the crystal structure.
doi:10.1107/S1600536811041213
PMCID: PMC3247344  PMID: 22219962
17.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(3-meth­oxy­phen­yl)ethyl­idene]hydrazine 
There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C15H14N4O5, with different conformations for the meth­oxy groups. The mol­ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol­ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro­benzene plane being 0.0310 (3) Å in one mol­ecule and 0.0650 (3) Å in the other. In each mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions and stacked along the a axis through π–π inter­actions, with centroid–centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.
doi:10.1107/S1600536812026979
PMCID: PMC3393954  PMID: 22798819
18.  2-[(4-Meth­oxy-2-nitro­phen­yl)imino­meth­yl]phenol 
The crystal structure of the title compound, C14H12N2O4, contains four crystallographically independent mol­ecules in the asymmetric unit. All the mol­ecules have similar conformations; the dihedral angles between the aromatic rings are 33.1 (1), 33.76 (9), 31.41 (9) and 32.56 (10)°. Intra­molecular O—H⋯N hydrogen bonds form S(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related mol­ecules. Along the c axis, mol­ecules are stacked with π–π inter­actions between the 2-hy­droxy­phenyl and 4-meth­oxy-2-nitro­phenyl rings [centroid–centroid distances = 3.5441 (12)–3.7698 (12) Å].
doi:10.1107/S1600536812031212
PMCID: PMC3414359  PMID: 22904892
19.  2-(4-Meth­oxy­phen­oxy)-3-nitro­pyridine 
In the title mol­ecule, C12H10N2O4, the pyridine and benzene rings are almost orthogonal [dihedral angle = 86.69 (11)°], with the pyridine N atom directed towards the centre of the benzene ring. The –NO2 [O—N—C—C = −26.1 (3)°] and –OMe [C—O—C—C = 166.5 (2)°] substituents are not coplanar with their respective aromatic rings. In the crystal, supra­molecular layers in the ab plane are formed via C—H⋯π inter­actions involving methyl H atoms and the pyridine and benzene rings. Short N—O⋯π contacts (where the π-system is derived from the pyridine ring) occur between layers in the c-axis direction.
doi:10.1107/S1600536810034057
PMCID: PMC3007986  PMID: 21588752
20.  3-Meth­oxy-2-[(E)-(4-meth­oxy­phen­yl)imino­meth­yl]phenol 
The title compound, C15H15NO3, adopts the enol–imine tautomeric form. The two rings are twisted with respect to each other, making a dihedral angle of 44.08 (5)°. The 3-methoxy-2-[(E)-(4-methoxyphenyl)-iminomethyl]phenol unit is almost planar, the largest deviation from the mean plane being 0.047 (2) Å. Such a planar conformation might be related to the occurrence of an intra­molecular O—H⋯N hydrogen bond. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into sheets parallel to (010). These sheets are inter­connected by weak C—H⋯π inter­actions.
doi:10.1107/S1600536811000596
PMCID: PMC3051687  PMID: 21523025
21.  N-[4-Cyano-3-(trifluoro­meth­yl)phen­yl]-2-eth­oxy­benzamide 
In the title compound, C17H13F3N2O2, the two aromatic rings are essentially coplanar, forming a dihedral angle of 2.78 (12)°. The non-H atoms of the eth­oxy group are coplanar with the attached ring [maximum deviation = 0.271 (3) Å]. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯N and C—H⋯F hydrogen bonds.
doi:10.1107/S1600536810019811
PMCID: PMC3006830  PMID: 21587782
22.  2-Meth­oxy-N-[5-(2-methoxy­phen­yl)-1,3,4-thia­diazol-2-yl]benzamide hemi­hydrate 
In the mol­ecule of the title compound, C17H15N3O3S·0.5H2O, the thia­diazole ring is oriented with respect to the two 2-methoxy­phenyl rings at dihedral angles of 3.70 (3) and 1.74 (2)°. An intra­molecular N—H⋯O hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the thia­diazole ring at a dihedral angle of 1.33 (3)°. Thus, all of the rings are nearly coplanar. In the crystal structure, inter­molecular O—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules.
doi:10.1107/S1600536808019934
PMCID: PMC2962244  PMID: 21203326
23.  (E)-Methyl 3-(4-ethyl­phen­yl)-2-{2-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy­meth­yl}acrylate 
In the title compound, C20H21NO4, the two benzene rings are almost perpendicular to each other, making a dihedral angle of 86.1 (7)°. The hy­droxy­ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane of the hy­droxy­ethanimine [C=N—OH] group being 0.011 (1) Å for the O atom. An intra­molecular C—H⋯O hydrogen bond occurs. The mol­ecules are linked into cyclic centrosymmetric R 2 2(6) dimers via O—H⋯N hydrogen bonds. Inter­molecular C—H⋯O hydrogen bonds link the mol­ecules, forming a C(8) chain along the a axis. The crystal packing is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536811038359
PMCID: PMC3201344  PMID: 22058811
24.  (E)-4-Meth­oxy-N′-[(pyridin-4-yl)methyl­idene]benzohydrazide monohydrate 
In the title compound, C14H13N3O2·H2O, the azomethine double bond adopts an E conformation and the N—N=C—C torsion angle is 178.37 (19)°. The dihedral angle between the benzene and pyridine rings is 5.58 (12)° and the C atom of the meth­oxy group is roughly coplanar with its attached ring [deviation = 0.157 (3) Å]. In the crystal, the components are linked by O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming (001) sheets. The water O atom accepts one N—H⋯O and two C—H⋯O inter­actions from the adjacent organic mol­ecule.
doi:10.1107/S1600536812034988
PMCID: PMC3435810  PMID: 22969656
25.  3,4,5-Trimeth­oxy-N-(2-methoxy­phen­yl)benzamide 
In the title mol­ecule, C17H19NO5, the amide plane is oriented at an angle of 41.5 (3)° with respect to the 2-methoxy­benzene ring. The three meth­oxy groups lie almost in the plane of the aromatic rings to which they are attached [C—O—C—C torsion angles of of 0.7 (4), −13.4 (4) and 3.1 (4)°], whereas the meth­oxy group at the 4-position of the 3,4,5-trimethoxy­benzene ring is nearly perpendicularly oriented [C—O—C—C torsion angle of 103.9 (3)°]. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains along [001].
doi:10.1107/S1600536809027974
PMCID: PMC2977507  PMID: 21583628

Results 1-25 (367741)