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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.  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
4.  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
5.  Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one 
The title compound crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.
The title compound, C22H17NO4, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. Each mol­ecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In mol­ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitro­phenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in mol­ecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, mol­ecules are arranged in a head-to-head manner, with the 3-nitro­phenyl groups nearly parallel to one another. The A and B mol­ecules are linked to one another via C—H⋯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R 2 2(10) and R 2 2(12) ring motifs. The meth­oxy group in both mol­ecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for mol­ecule A and 0.55 (4):0.45 (4) for mol­ecule B.
doi:10.1107/S2056989014025110
PMCID: PMC4331905
crystal structure; chalcones; C—H⋯O hydrogen bonding; main-residue disorder
6.  1-(2,4-Di­nitro­phen­yl)-2-[(E)-(3,4,5-tri­meth­oxy­benzyl­idene)]hydrazine 
Mol­ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth­oxy groups of the 3,4,5-tri­meth­oxy­benzene moiety lie in the plane of the attached ring [Cmeth­yl–O–C–C torsion angles −0.1 (4)° and −3.7 (3)°] while the para-meth­oxy substituent lies out of the plane [Cmeth­yl—O—C—C, −86.0 (3)°]. An intra­molecular N—H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol­ecules are linked by weak C—H⋯O inter­actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π–π stacking inter­actions between the nitro and meth­oxy substituted aromatic rings with a centroid–centroid separation of 3.9420 (13) Å. C—H⋯π contacts further stabilize the two-dimensional network.
doi:10.1107/S1600536814001238
PMCID: PMC3998339  PMID: 24764900
7.  N-[(2-Chloro­phen­yl)sulfon­yl]-2-meth­oxy­benzamide 
The title compound, C14H12ClNO4S, crystallizes with two mol­ecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68 (1) (mol­ecule 1) and 82.9 (1)° (mol­ecule 2). In each mol­ecule, intra­molecular N—H⋯O hydrogen bonds between the amide H atom and the meth­oxy O atom generate S(6) loops. In the crystal, mol­ecule 2 is linked into inversion dimers through pairs of C—H⋯O inter­actions, forming an R 2 2(8) ring motif. Mol­ecules 1 and 2 are further linked along the b-axis direction through C—H⋯π inter­actions. The crystal structure is further stabilized by several π–π stacking inter­actions [centroid–centroid separations = 3.7793 (1), 3.6697 (1) and 3.6958 (1) Å], thus generating a three-dimensional architecture.
doi:10.1107/S1600536813029012
PMCID: PMC3884364  PMID: 24454140
8.  (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
9.  Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one 
In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in the ortho position is twisted [O—N—C—C = 138.28 (13)°]. The mol­ecules associate via C—H⋯O inter­actions, involving both O atoms from the 2-nitro group, to form a helical supra­molecular chain along [010]. Nitro–nitro N⋯O inter­actions [2.8461 (19) Å] connect the chains into layers that stack along [001].
doi:10.1107/S1600536814018819
PMCID: PMC4186202  PMID: 25309220
crystal structure; hydrogen bonding; N⋯O inter­actions
10.  Crystal structure of (2E)-1-(4-hy­droxy-3-meth­oxy­phen­yl)-3-(4-hy­droxy­phen­yl)prop-2-en-1-one 
In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The meth­oxy group is essentially coplanar with the benzene ring to which it is attached, with a C—O—C C torsion angle of 5.5 (9)°. In the crystal, mol­ecules are linked by O—H⋯O and bifurcated O—H⋯(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.
doi:10.1107/S1600536814021953
PMCID: PMC4257319  PMID: 25484802
crystal structure; prop-2-en-1-one; chalcones; biological activity; hydrogen bonding
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.  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
13.  (E)-4-Meth­oxy-N′-(3,4,5-trimeth­oxy­benzyl­idene)benzohydrazide 
In the asymmetric unit of the title compound, C18H20N2O5, there are two crystallographic independent mol­ecules. Both mol­ecules are twisted; the dihedral angle between the two benzene rings is 7.2 (5)° in one mol­ecule, whereas it is 85.9 (4)° in the other. Of the three meth­oxy groups in the 3,4,5-trimeth­oxy­phenyl unit, two meth­oxy groups at meta positions are approximately coplanar with the benzene plane [C—O—C—C torsion angles of −2.3 (13)–4.8 (11)°], but the other meth­oxy, at the para position, is out of the plane [C—O—C—C of 72.8 (9)° in one mol­ecule and −77.5 (9)° in the other]. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds and weak C—H⋯O inter­actions into tapes along the b axis. C—H⋯π inter­actions are also present.
doi:10.1107/S1600536812003534
PMCID: PMC3297292  PMID: 22412482
14.  (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
15.  Crystal structure of (E)-3-(2,4-di­meth­oxy­phen­yl)-1-(1-hy­droxy­naphthalen-2-yl)prop-2-en-1-one 
In the title compound, C21H18O4, the C=C bond of the central enone group adopts an E conformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 6.60 (2)°. The meth­oxy groups on the benzene ring are essentially coplanar with the ring; the C—C—O—C torsion angles being 1.6 (2) and −177.1 (1)°. The hy­droxy group attached to the naphthalene ring is involved in an intra­molecular O—H⋯O hydrogen bond. The relative conformation of the two double bonds in the enone group is s-cisoid. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into chains propagating along [010].
doi:10.1107/S1600536814018704
PMCID: PMC4186154  PMID: 25309211
crystal structure; chalcone; enone; benzochalcone; naphthalene
16.  2-[(E)-2-(4-Hy­droxy-3-meth­oxy­phen­yl)ethen­yl]-1-methylpyridinium 4-bromo­benzene­sulfonate monohydrate 
The title salt crystallized as the monohydrate C15H16NO2 +·C6H4BrSO3 −·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy­droxy and meth­oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth­yl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π inter­actions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol­ecules are linked by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536813031917
PMCID: PMC3885091  PMID: 24454267
17.  6-Meth­oxy-4-(2,4,5-tri­meth­oxy­phen­yl)-2,2′-bi­pyridine-5-carbo­nitrile 
In the title 3-cyano­pyridine derivative, C21H19N3O4, the 3-cyano-substituted pyridine ring forms dihedral angles of 2.35 (5) and 41.60 (5)° with the unsubstituted pyridine and 2,4,5-trimeth­oxy-substituted benzene rings, respectively. The dihedral angle between the unsubstituted pyridine and benzene rings is 39.84 (5)°. The meth­oxy groups form Cmeth­yl—O—C—(C,N) torsion angles in the range 0.80 (15)–11.45 (15)°. In the crystal, mol­ecules related by 21 screw axes are linked by weak C—H⋯N hydrogen bonds along [010]. In addition, weak C—H⋯π inter­actions and π–π stacking inter­actions between pyridine rings, with a centroid–centroid distance of 3.6448 (6) Å, are observed.
doi:10.1107/S1600536813023891
PMCID: PMC3790375  PMID: 24098197
18.  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
19.  2-[(1,3-Benzo­thia­zol-2-yl)imino­meth­yl]-6-meth­oxy­phenol: a new monoclinic polymorph 
The title compound, C15H12N2O2S, is a P21/c polymorph of a previously reported P21/n polymorph [Büyükgüngör et al. (2004 ▶). Acta Cryst. E60, o1414–o1416]. The dihedral angle between the benzo­thia­zole (r.m.s. deviation = 0.010 Å) and the benzene ring of 7.86 (6)° compares with 10.76 (10)° in the literature structure. The meth­oxy substituent is almost coplanar with the benzene ring to which it is attached [C—O—C—C torsion angle = 178.31 (14)°] and the conformation about the imine bond [1.287 (2) Å] is E. There is an intra­molecular O—H⋯N hydrogen bond and the hy­droxy O and thio­ether S atoms are syn. In the crystal, columns are formed along the b axis as centrosymmetric dimeric aggregates, mediated by C—H⋯O inter­actions and linked by π–π inter­actions between the thia­zole and benzene rings [centroid-to-centroid distance = 3.8256 (10) Å].
doi:10.1107/S1600536813019387
PMCID: PMC3793768  PMID: 24109355
20.  [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
21.  (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
22.  2-Benzyl-5-meth­oxy­isoindoline-1,3-dione 
The title N-benzyl­phthalimide derivative, C16H13NO3, consists of two planar moieties, viz. the phthalimide system (r.m.s. deviation = 0.007 Å) and the phenyl ring, which make a dihedral angle of 84.7 (6)°. The meth­oxy group is almost coplanar with the phathalimide ring, as shown by the C—C—O—C torsion angle of −171.5 (2)°. In the crystal, the mol­ecules are self-assembled via non-classical C—H⋯O hydrogen bonds, forming a tape motif along [110].
doi:10.1107/S160053681302638X
PMCID: PMC3790449  PMID: 24098268
23.  (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
24.  (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
25.  (E)-4-Meth­oxy-N′-(2,4,5-tri­meth­oxy­benzyl­idene)benzohydrazide hemihydrate 
The title compound crystallizes as a hemihydrate, C18H20N2O5·0.5H2O. The mol­ecule exists in an E conformation with respect to the C=N imine bond. The 4-meth­oxy­phenyl unit is disordered over two sets of sites with a refined occupancy ratio of 0.54 (2):0.46 (2). The dihedral angles between the benzene rings are 29.20 (9) and 26.59 (9)°, respectively, for the major and minor components of the 4-meth­oxy-substituted ring. All meth­oxy substituents lie close to the plane of the attached benzene rings [the Cmeth­yl—O—C—C torsion angles range from −4.0 (12) to 3.9 (2)°]. In the crystal, the components are linked into chains propagating along [001] via N—H⋯O and O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions.
doi:10.1107/S1600536814000531
PMCID: PMC3998312  PMID: 24764873

Results 1-25 (641451)