scholarly journals 1-[3-(Morpholin-4-yl)propyl]-4-(3-nitrophenyl)spiro[azetidine-3,9′-xanthen]-2-one

2014 ◽  
Vol 70 (3) ◽  
pp. o369-o370 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Roghayeh Heiran ◽  
Namık Özdemir
Keyword(s):  
Hydrogen Bond ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Morpholine Ring

The β-lactam (azetidin-2-one) ring of the title compound, C28H27N3O5, is nearly planar [maximum deviation = 0.010 (1) Å] and makes dihedral angles of 75.77 (5), 52.78 (9) and 88.72 (5)°, respectively, with the benzene ring, the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation, and the xanthene ring system. In the crystal, C—H...O hydrogen-bond contacts connect neighbouring molecules into infinite zigzag chains running parallel to thebaxis.

scholarly journals 1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9′-xanthen]-2-one

2014 ◽  
Vol 70 (7) ◽  
pp. o772-o773
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Roghayeh Heiran ◽  
Namık Özdemir
Keyword(s):  
Hydrogen Bond ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Morpholine Ring

In the title compound, C22H21N3O5, the β-lactam (azetidin-2-one) ring is nearly planar [maximum deviation = 0.010 (1) Å] and makes dihedral angles of 69.22 (5), 55.32 (5) and 89.42 (4)° with the least-squares planes formed by the four C atoms of the morpholine ring, which adopts a chair conformation, the benzene ring and the xanthene ring system, respectively. In the crystal, C—H...O hydrogen-bond contacts connect neighbouring molecules into infinite zigzag chains running parallel to thebaxis.

scholarly journals (6-Methoxy-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate

2013 ◽  
Vol 69 (2) ◽  
pp. o192-o192 ◽  
Author(s):  
H. C. Devarajegowda ◽  
K. Mahesh Kumar ◽  
S. Seenivasa ◽  
H. K. Arunkashi ◽  
O. Kotresh
Keyword(s):  
Hydrogen Bond ◽  
Bond Angle ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Morpholine Ring ◽  
Chromene Ring

In the title compound, C16H17NO4S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070 (1) Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09 (6)°. An intramolecular C—H...S hydrogen bond occurs. In the crystal, C—H...O hydrogen bonds generateR22(8) rings and π–π interactions occur between fused benzene rings of the chromene system [shortest centroid–centroid distance = 3.5487 (8) Å].

scholarly journals 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Yanwen Sun ◽  
Haolei Wu ◽  
Changheng Wei ◽  
Mei Gao ◽  
Zeyi Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Compound C ◽  
Pyridazine Ring ◽  
Morpholine Ring

In the title compound, C17H16ClN5O3, the phenyl and the oxadiazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°. These rings lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively. The morpholine ring has the usual chair conformation and its mean plane is inclined to the pyridazine ring by 39.45 (17)°. There is a short intramolecular C—H...Cl contact present. In the crystal, molecules are linked by bifurcated C—(H,H)...O hydrogen bonds and a C—H...N hydrogen bond, forming layers parallel to the ab plane.

scholarly journals 3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazin-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1736-o1737
Author(s):  
Hoong-Kun Fun ◽  
Suhana Arshad ◽  
B. K. Sarojini ◽  
U. A. Imran ◽  
B.G. Krishna
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Triazine Ring ◽  
Compound C ◽  
Graph Set

In the title compound, C17H10Cl2N4OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H...O hydrogen bonds link the molecules, forming inversion dimers with an R 2 2(18) graph-set motif. A short S...N contact of 2.801 (3) Å is observed between the dimers.

scholarly journals Crystal structure of 5-(1,3-dithian-2-yl)-2H-1,3-benzodioxole

2015 ◽  
Vol 71 (3) ◽  
pp. o167-o168
Author(s):  
Julio Zukerman-Schpector ◽  
Ignez Caracelli ◽  
Hélio A. Stefani ◽  
Olga Gozhina ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Equatorial Position ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Difference

In the title compound, C11H12O2S2, two independent but virtually superimposable molecules,AandB, comprise the asymmetric unit. In each molecule, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the plane through the remaining four atoms. The substituted benzene ring occupies an equatorial position in each case and forms dihedral angles of 85.62 (9) (moleculeA) and 85.69 (8)° (moleculeB) with the least-squares plane through the 1,3-dithiane ring. The difference between the molecules rests in the conformation of the five-membered 1,3-dioxole ring which is an envelope in moleculeA(the methylene C atom is the flap) and almost planar in moleculeB(r.m.s. deviation = 0.046 Å). In the crystal, molecules ofAself-associate into supramolecular zigzag chains (generated by glide symmetry along thecaxis)viamethylene C—H...π interactions. Molecules ofBform similar chains. The chains pack with no specific directional intermolecular interactions between them.

scholarly journals Crystal structure oftrans-1-{2-[4-(dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane

2015 ◽  
Vol 71 (8) ◽  
pp. o629-o630
Author(s):  
Sreevidya Thekku Veedu ◽  
Simone Techert
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twin Domain ◽  
Compound C ◽  
The Mean

The title compound, C34H37N, is a pyrene derivative in which the pyrene ring system is linked to an ethylcyclohexane unit which, in turn, carries a [4-(dimethylamino)phenyl]ethyl substituent in theparaposition. The central cyclohexane ring has a chair conformation, with the exocyclic C—C bonds in equatorial orientations. The benzene ring is inclined to the mean plane of the pyrene ring system [maximum deviation = 0.038 (4) Å] by 14.84 (15)°. In the crystal, molecules are linked by C—H...π interactions, forming chains propagating along [010]. The crystal was refined as a non-merohedral twin [domain ratio = 0.9989 (4):0.0011 (4)].

scholarly journals 2,7-Bis(2-nitrophenyl)-9-octyl-9H-carbazole

2012 ◽  
Vol 68 (4) ◽  
pp. o1249-o1249
Author(s):  
Norma Wrobel ◽  
Dieter Schollmeyer ◽  
Heiner Detert
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Suzuki Coupling ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Screw Axis ◽  
Compound C ◽  
Benzene Rings

The title compound, C32H31N3O4, was obtained in a Suzuki coupling of carbazole diboronic acid and bromonitrobenzene. In the crystal, the molecule adopts a non-symmetric conformation. The carbazole ring system is approximately planar [maximum deviation from the least-squares plane = 0.039 (2) Å]. The planes of the carbazole unit and the benzene rings subtend dihedral angles of 48.42 (7) and 41.81 (6)°. The dihedral angles between the planes of the nitrophenyl rings and the nitro groups are 44.34 (19) and 61.64 (15)°. The crystal is built from two strands of parallel molecules with interdigitated octyl chains. These strands are symmetry related by a twofold screw axis.

scholarly journals Polymorph of 4-(carbazol-9-yl)benzonitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1199-o1199 ◽  
Author(s):  
Yu-Zhong Xie ◽  
Jing-Yi Jin ◽  
Xiao-Chun Qu
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C19H12N2, contains two independent molecules with a similar structure. In the two molecules, the dihedral angles between the carbazole ring system and the benzene ring are 47.9 (5) and 45.4 (4)°, similar to the value of 47.89 (6)° found in the previously reported structure [Saha & Samanta (1999).Acta Cryst.C55, 1299–1300]. In the crystal, there is a weak C—H...N hydrogen bond between the two independent molecules.

scholarly journals 1-[3-(Morpholin-4-yl)propyl]-3-[(naphthalen-2-yl)oxy]-4-(3-nitrophenyl)azetidin-2-one

2014 ◽  
Vol 70 (8) ◽  
pp. o833-o834
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Roghayeh Heiran ◽  
Namık Özdemir
Keyword(s):  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Naphthalene Ring ◽  
Compound C ◽  
Lactam Ring ◽  
The Mean ◽  
Morpholine Ring

In the title compound, C26H27N3O5, the β-lactam (azetidin-2-one) ring is nearly planar [maximum deviation = 0.011 (3) Å]. The mean plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation, the benzene ring and the naphthalene ring system form dihedral angles of 72.85 (17), 87.46 (15) and 65.96 (11)°, respectively, with the β-lactam ring. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming inversion dimers withR22(8).

scholarly journals 7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1097-o1097 ◽  
Author(s):  
Hai-Jun Hu ◽  
Hong Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C25H25FN4OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluorophenyl rings, respectively. Intermolecular N—H...F and C—H...F hydrogen bonding, as well as C—F...π interactions [F...centroid = 3.449 (3) Å; C—F...centroid = 91.87 (15)°], help to stabilize the crystal structure.

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