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1.  12-Benzoyl-2-methyl­naphtho­[2,3-b]indolizine-6,11-dione 
In the title compound, C24H15NO3, the fused naphthaquin­one–pyrrole unit is approximately planar, the naphthaquinone ring system making a dihedral angle of 2.91 (10)° with the pyrrole ring. The plane of the pyrrole ring makes a dihedral angle 61.64 (14)° with that of the benzene ring of the benzoyl­methyl­ene group. The crystal structure is stablized by intra­molecular C—H⋯O inter­actions.
doi:10.1107/S1600536811019623
PMCID: PMC3120298  PMID: 21754909
2.  5′′-(4-Meth­oxy­benzyl­idene)-1′-(4-meth­oxy­phen­yl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octa­hydro­dispiro­[acenaphthyl­ene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione 
In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methyl­ene C atom adjacent to the octa­hydro­indolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octa­hydro­indolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parameters Q = 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H⋯O inter­actions form centrosymmetric dimers, which are further connected by C—H⋯π inter­actions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.
doi:10.1107/S1600536813001177
PMCID: PMC3569788  PMID: 23424534
3.  4-(4-Meth­oxy­phen­yl)naphtho­[2,3-b]thio­phene 
In the title compound, C19H14OS, the naphtho­thio­phene moiety is almost planar except for the S atom of the five-membered ring, which is situated 0.047 (6) Å out of the C4 plane (with an r.m.s. deviation of fitted atoms = 0.0009 Å). The dihedral angle between the naphtho­thio­phene plane and the attached meth­oxy­phenyl ring is 67.6 (2)°. In the crystal, a C—H⋯π inter­action is observed between a meth­oxy­phenyl C—H group and the outer benzene ring of the naphtho­thio­phene moiety. The five-membered ring of the naphtho­thio­phene moiety is disordered, with the S and opposite non-fused C atom approximately exchanging positions, with a site-occupancy factors of 0.808 (3) and 0.187 (3).
doi:10.1107/S1600536812005697
PMCID: PMC3297925  PMID: 22412728
4.  9-[(2-Meth­oxy­benz­yl)amino]-5-(3,4,5-trimeth­oxy­phen­yl)-5,5a,8a,9-tetra­hydro­furo[3′,4′:6,7]naphtho­[2,3-d][1,3]dioxol-6(8H)-one 
In the title compound, C30H31NO8, the tetra­hydro­furan ring and the six-membered ring fused to it both display envelope conformations, both having the same C atom as the flap. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole ring system and the other two benzene rings are 53.73 (3) and 83.30 (2)°. An intra­molecular N—H⋯O hydrogen bond is present. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains parallel to the c axis.
doi:10.1107/S160053681202572X
PMCID: PMC3393313  PMID: 22807870
5.  2-[2-(3-Chloro­phen­yl)-2-oxoeth­yl]-4-hy­droxy-3-(3-meth­oxy­benzo­yl)-2H-1λ6,2-benzothia­zine-1,1-dione 
In the title mol­ecule, C24H18ClNO6S, the heterocyclic thia­zine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothia­zin unit and meth­oxy­benzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chloro­phenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The mol­ecular structure is consolidated by intra­molecular O—H⋯O and C—H⋯N inter­actions and the crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536812009014
PMCID: PMC3343952  PMID: 22590033
6.  10a-Hy­droxy-9-(4-meth­oxy­phen­yl)-3,4,5,6,7,8a,9,10a-octa­hydro-1H-xanthene-1,8(2H)-dione 
In the title compound, C20H22O5, the tetra­hydro­pyran, cyclo­hexene and cyclo­hexane rings of the xanthene ring system adopt half-chair, half-boat and chair conformations, respectively. The mean plane of the four roughly planar atoms of the tetra­hydro­pyran ring (r.m.s. deviation = 0.111 Å) forms a dihedral angle of 82.91 (4)° with the meth­oxy­benzene group. In the crystal, mol­ecules are linked via O—H⋯O and C—H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal is further consolidated by weak C—H⋯π inter­actions.
doi:10.1107/S160053681203005X
PMCID: PMC3414299  PMID: 22904832
7.  1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate 
The asymmetric unit of the compound, C20H26N2O5·0.5C2H5OH, consists of two tetra­hydro­pyrimidine-2,4-dione mol­ecules and an ethanol mol­ecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006 Å in one mol­ecule and 0.009 Å in the other); the C atom at the 5-position deviates by 0.083 (3) Å [0.064 (3) Å in the second mol­ecule] from the mean plane and the C atom at the 6-position by 0.034 (3) Å [0.082 (3) Å in the second mol­ecule]. In each mol­ecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51 (8)° in one mol­ecule and 84.70 (8)° in the other. The amino group of each tetra­hydro­pyrimidine-2,4-dione mol­ecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer in each case. The ethanol mol­ecule forms a hydrogen bond to the meth­oxy O atom of one of two independent mol­ecules.
doi:10.1107/S1600536811055693
PMCID: PMC3275033  PMID: 22346978
8.  2-(4-Fluoro­phen­yl)-1-(4-meth­oxy­phen­yl)-1H-phenanthro[9,10-d]imidazole 
In the title compound, C28H19FN2O, the phenanthrene fused with an imidazole ring, constituting an essentially planar tetra­cyclic system [maximum deviation = 0.032 (2) Å], makes dihedral angles of 60.83 (4) and 80.55 (4)° with the fluoro­benzene and meth­oxy­benzene rings, respectively. The dihedral angle between the the meth­oxy­benzene and fluoro­benzene rings is 69.45 (6)°. In the crystal, C—H⋯O hydrogen bonds connect the mol­ecules into infinite strands along the b axis. The crystal structure is further consolidated by C—H⋯π inter­actions.
doi:10.1107/S1600536813003504
PMCID: PMC3588432  PMID: 23476557
9.  [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
10.  3-(4-Meth­oxy­benzo­yl)-6-nitro­coumarin 
In the title coumarin derivative (also known as 2H-chromen-2-one or 2H-1-benzopyran-2-one), C17H11NO6, the coumarin ring system is nearly planar, with a dihedral angle of 3.35 (9)° between the pyrone and the benzene rings. The dihedral angle between the planes formed by the coumarin ring system and the benzene substituent is 54.60 (7)°, clearly showing the non-coplanarity of the whole aromatic system. The crystal studied was a non-merohedral twin; the minor component refined to approximately 0.44.
doi:10.1107/S1600536813002948
PMCID: PMC3588552  PMID: 23476538
11.  6-(4-Meth­oxy­phen­yl)naphtho[2,3-b][1]benzothio­phene 
The asymmetric unit of the title compound, C23H16OS, contains two independent mol­ecules with opposite orientations of the meth­oxy groups bonded to the benzene rings. The napthobenzothiophene group in the two molecules is separated by an average distance of 3.912 Å. In both mol­ecules, the napthobenzothio­phene unit is almost planar, with r.m.s deviations of 0.0522 and 0.0143 Å. The meth­oxy­phenyl ring makes dihedral angles of 67.0 (6)° and 70.4 (6)° with respect to the napthobenzothio­phene ring system in the two mol­ecules. The crystal packing features C—H⋯S, π–π [centroid–centroid distances = 3.666 (10) and 3.658 (10) Å] and C–H⋯π inter­actions, forming a sheet running along the b-axis direction.
doi:10.1107/S1600536812047137
PMCID: PMC3588996  PMID: 23476232
12.  6-(4-Meth­oxy­phen­yl)-6a-nitro-6,6a,6b,7,8,9,10,12a-octa­hydro­spiro­[chromeno[3,4-a]indolizine-12,3′-indolin]-2′-one 
In the title compound, C29H27N3O5, the hydropyran ring adopts an envelope conformation with the methine C atom bearing the para-meth­oxy­benzene ring as the flap. The central pyrrolidine ring has a twist conformation on the N—C bond involving the spiro C atom. The piperidine ring adopts a chair conformation. An intra­molecular C—H⋯O contact closes an S(7) ring. In the crystal, inversion dimers linked by C—H⋯O inter­actions generate R 2 2(18) loops and N—H⋯O hydrogen bonds connect the dimers into [100] chains.
doi:10.1107/S1600536813015341
PMCID: PMC3772479  PMID: 24046622
13.  11-Butyl-3-meth­oxy-11H-benzo[a]carbazole 
The title compound, C21H21NO, consists of a carbazole skeleton with a meth­oxy­benzene ring fused to the carbazole, and a butyl group attached to the carbazole N atom. The carbazole skeleton is nearly planar [maximum deviation = 0.078 (2) Å], and it is oriented at a dihedral angle of 4.22 (4)° with respect to the adjacent meth­oxy­benzene ring.
doi:10.1107/S1600536810021963
PMCID: PMC3007054  PMID: 21587864
14.  1-[(Cyclo­propyl­meth­oxy)meth­yl]-5-ethyl-6-(4-methyl­benzyl)-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione 
The pyrimidine ring in the title compound, C19H24N2O3, is nearly planar (r.m.s. deviation = 0.008 Å); the C atom at the 5-position deviates by 0.054 (3) Å from the mean plane and the C atom at the 6-position by 0.006 (3) Å in the opposite direction. The benzene ring is approximately perpendicular to the pyrimidine ring [dihedral angle = 83.90 (10)°]. The amino group is hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer. The cyclo­propyl ring is disordered over two sets of sites with the major component having 71.5 (4)% occupancy.
doi:10.1107/S1600536811055681
PMCID: PMC3275032  PMID: 22346977
15.  1-(2-Meth­oxy­phen­yl)-1H-pyrrole-2,5-dione 
In the title compound, C11H9NO3, the dihedral angle between the meth­oxy­benzene and 1H-pyrrole-2,5-dione rings is 75.60 (10)°. The C atom of the meth­oxy group is close to coplanar with its attached ring [deviation = 0.208 (2) Å]. In the crystal, weak aromatic π–π stacking [centroid–centroid separation = 3.8563 (13) Å] occurs between inversion-related pairs of benzene rings.
doi:10.1107/S1600536812026888
PMCID: PMC3394061  PMID: 22798926
16.  Methyl (E)-3,5-dimeth­oxy-2-{[2-(4-meth­oxy­benzo­yl)hydrazin-1-yl­idene]meth­yl}benzoate 
In the title compound, C19H20N2O6, the azomethine [C=N = 1.269 (2) Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41 (11)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(16) loops. The dimers are connected by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (100).
doi:10.1107/S1600536812034782
PMCID: PMC3435694  PMID: 22969565
17.  2-(2-Meth­oxy­phen­yl)-1H-isoindole-1,3(2H)-dione 
In the title compound, C15H11NO3, the dihedral angle between the meth­oxy­benzene and isoindole ring systems is 70.21 (3)°. The meth­oxy C atom is close to being coplanar with its attached ring [deviation = 0.133 (2) Å] and is oriented away from the isoindole moiety. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R 2 2(10) loops. Further C—H⋯O inter­actions lead to (010) infinite sheets and weak aromatic π–π stacking [centroid–centroid separations = 3.6990 (10) and 3.7217 (10) Å] is also observed.
doi:10.1107/S1600536812027262
PMCID: PMC3415027  PMID: 22905014
18.  3-(4-Chloro­phen­oxy)-1-(4-meth­oxy­phen­yl)-4-(4-nitro­phen­yl)azetidin-2-one 
In the title compound, C22H17ClN2O5, the nearly planar four-membered β-lactam ring [maximum deviation of 0.016 (1) for the N atom] makes dihedral angles of 53.07 (9), 73.19 (9) and 6.61 (9)° with the chloro-, nitro- and meth­oxy­benzene rings, respectively. The crystal structure is stabilized by C—H⋯O hydrogen bonds, a weak C—H⋯π inter­action and a π–π stacking inter­action [centroid–centroid distance = 3.6513 (8) Å] between the meth­oxy­benzene rings of inversion-related mol­ecules.
doi:10.1107/S1600536811013018
PMCID: PMC3089293  PMID: 21754420
19.  3-Amino-1-(4-fluoro­phen­yl)-8-meth­oxy-1H-benzo[f]chromene-2-carbonitrile 
The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluoro­benzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132 (2) Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107 Å). In the crystal, inversion dimers are formed via pairs of amine–cyano N—H⋯N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C—H⋯N(cyano), C—H⋯π and π–π [inter­centroid distance = 3.6671 (10) Å] inter­actions.
doi:10.1107/S160053681300545X
PMCID: PMC3629515  PMID: 23634033
20.  N-{3-[2-(4-Fluoro­phen­oxy)eth­yl]-2,4-dioxo-1,3-diaza­spiro­[4.5]decan-7-yl}-4-meth­oxy­benzene­sulfonamide 
In the title compound, C23H26FN3O6S, the two terminal aromatic rings form a dihedral angle of 49.26 (12)°. The cyclo­hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456 (19) Å. The dihedral angles between the five-membered ring and the meth­oxy­benzene and fluoro­benzene rings are 33.56 (11) and 81.94 (12)°, respectively. The crystal structure displays N—H⋯O hydrogen bonds as well as weak inter­molecular C—H⋯O inter­actions.
doi:10.1107/S1600536811053980
PMCID: PMC3254531  PMID: 22259477
21.  6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(3-phenyl­prop­oxy)meth­yl]-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione 
The pyrimidine ring of the title compound, C25H30N2O3, is approximately planar (r.m.s. deviation = 0.003 Å); the C atom at the 5-position deviates by 0.012 (3) Å from the mean plane and the C atom at the 6-position by 0.038 (3) Å. In the mol­ecule, the pyrimidine ring is oriented at 86.72 (9) and 59.75 (9)° with respect to the two benzene rings, and the two benzene rings are inclined to each other at 58.35 (9)°. In the crystal, the amino group is hydrogen-bond donor to the exocyclic O atom at the 4-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer.
doi:10.1107/S1600536811055723
PMCID: PMC3275006  PMID: 22346951
22.  (1S*,4′S*,5R*)-1-Isopropyl-5-meth­oxy-2′,3-dimethyl-4,6-dioxa-2-aza­spiro­[bicyclo­[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione 
In the isoquinoline ring system of the title mol­ecule, C18H20N2O5, the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza­spiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The mol­ecular structure is stabilized by a weak intra­molecular C—H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, mol­ecules are linked via weak inter­molecular C—H⋯O hydrogen bonds into a three-dimensional supra­molecular network. Additional stabilization is provided by π–π stacking inter­actions between symmetry-related benzene rings with a centroid–centroid distance of 3.6507 (5) Å.
doi:10.1107/S1600536811015315
PMCID: PMC3089152  PMID: 21754556
23.  4-Hy­droxy-2-[(4-iodo­benzo­yl)meth­yl]-3-(3-meth­oxy­benzo­yl)-2H-1,2-benzothia­zine 1,1-dioxide 
In the title mol­ecule, C24H18INO6S, the heterocyclic thia­zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.381 (5) and −0.449 (5) Å, respectively, from the plane formed by the remaining atoms in the ring; the puckering parameters are Q = 0.550 (2) Å, θ = 61.7 (2)° and ϕ = 31.4 (3)°. The conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond. The two nonfused benzene rings lie almost parallel to each other [dihedral angle = 9.18 (4)°], with a separation of 3.754 (2) Å between the centres of gravity of the two rings, indicating strong π–π inter­actions.
doi:10.1107/S1600536810032265
PMCID: PMC3008120  PMID: 21588673
24.  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
25.  3,4-Bis[4-(4-meth­oxy­phen­oxy)phen­yl]-1-methyl-1H-pyrrole-2,5-dione 
The title compound, C31H25NO6, has a structure related to other 3,4-diaryl-substituted maleic anhydride derivatives which have been shown to be useful as photochromic materials. The dihedral angles between the maleimide ring system and the benzene rings bonded to it are 44.48 (3) and 17.89 (3)°, while the angles between each of the latter rings and the corresponding ether bridging connected meth­oxy­benzene rings are 78.61 (8) and 72.67 (7)°. In the crystal, the molecules are linked by C—H⋯O inter­actions.
doi:10.1107/S1600536811032594
PMCID: PMC3200619  PMID: 22065518

Results 1-25 (61677)