scholarly journals 4-(1-Methylethyl)-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)aniline

2013 ◽  
Vol 69 (2) ◽  
pp. o247-o247 ◽  
Author(s):  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Mehdi Mohammadi Chermahini ◽  
Pezhman Shiri ◽  
Muhammad Nawaz Tahir
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C22H24N4O, the terminal and central benzene rings make dihedral angles of 52.7 (3) and 43.8 (2)°, respectively, with the triazole ring. The dihedral angle between the benzene rings is 8.9 (2)°. The crystal structure features C—H...π interactions. The atoms of the terminal propenyl group are disordered over two sets of sites, with a refined occupancy ratio of 0.714 (14):0.286 (14).

scholarly journals Crystal structure of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-1,2,3-triazole

2015 ◽  
Vol 71 (8) ◽  
pp. o534-o535
Author(s):  
Balbir Kumar ◽  
Madhvi Bhardwaj ◽  
Satya Paul ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C15H12FN3O, the triazole ring forms dihedral angles of 30.57 (8) and 21.81 (9)° with the fluoro-substituted and methoxy-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 51.53 (7)°. In the crystal, π–π interactions between the triazole rings [centroid–centroid seperations = 3.774 (2) and 3.841 (2) Å] form chains along [010].

4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole

2006 ◽  
Vol 62 (4) ◽  
pp. o1279-o1280
Author(s):  
Shu-Ping Zhang ◽  
Zhao-Di Liu ◽  
Si-Chang Shao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H15ClN4, the two benzene rings form dihedral angles of 30.95 (9) and 70.69 (6)° with the triazole ring, and the dihedral angle between the triazole and the pyridine rings is 43.38 (8)°. Intermolecular C—H...N hydrogen bonds are observed in the crystal structure.

scholarly journals 1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1023-o1023
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H17ClN2O2, the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, molecules are linkedviabifurcated (C,C)–H...O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C—H...π interactions.

scholarly journals 1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o975-o975 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C20H21ClN2O2, the benzene rings form dihedral angles of 6.35 (5) and 81.82 (5)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.145 Å). This latter ring adopts an envelope conformation with the CH grouping as the flap. The dihedral angle between the benzene rings is 75.63 (4)°. In the crystal, molecules are linked by C—H...Cl and C—H...O hydrogen bonds into chains along [-201]. The crystal structure also features C—H...π interactions.

scholarly journals 4-Hydroxymethyl-10-methoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate

2012 ◽  
Vol 68 (8) ◽  
pp. o2598-o2599
Author(s):  
Daichi Hijikata ◽  
Kosuke Sasagawa ◽  
Sayaka Yoshiwaka ◽  
Akiko Okamoto ◽  
Noriyuki Yonezawa
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C30H26O6·C3H6O, thesyn-oriented benzoyl groups are nearly parallel to each other; the dihedral angle between their benzene rings is 15.9 (1)°. They form dihedral angles of 72.5 (1) and 84.3 (1)° with the naphthalene system. In the crystal, molecules are linked into a three-dimensional architecture by C—H...O and C—H...π interactions.

scholarly journals Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde

2017 ◽  
Vol 73 (5) ◽  
pp. 726-728 ◽  
Author(s):  
Vairavan Mahalakshmi ◽  
Siddan Gouthaman ◽  
Madurai Sugunalakshmi ◽  
Srinivasan Bargavi ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Single Bond ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

The title compound, C29H24N2OS, contains a phenothiazine moiety linked to a planar carbazole unit (r.m.s. deviation = 0.029 Å) by a C—C single bond. The phenothiazine moiety possesses a typical non-planar butterfly structure with a fold angle of 27.36 (9)° between the two benzene rings. The dihedral angle between the mean planes of the carbazole and phenothiazine units is 27.28 (5)°. In the crystal, molecules stack in pairs along thec-axis direction, linked by offset π–π interactions [intercentroid distance = 3.797 (1) Å]. There are C—H...π interactions present linking these dimers to form a three-dimensional structure.

scholarly journals Crystal structure of 1-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone

2014 ◽  
Vol 70 (11) ◽  
pp. o1171-o1172 ◽  
Author(s):  
V. Shreevidhyaa Suressh ◽  
S. Sathya ◽  
A. Akila ◽  
S. Ponnuswamy ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H29NO3, the azabicycle contains two six-membered rings,viz.a cyclohexane ring and a piperidine ring. The first adopts a chair conformation and the second a half-chair conformation. The dihedral angle between their mean planes is 86.21 (13)°, indicating that they are almost perpendicular to one another. The dihedral angle between the planes of the 4-methoxyphenyl rings is 17.51 (13)°, and they make dihedral angles of 81.9 (3) and 81.3 (3)° with the ethan-1-one group. In the crystal, molecules are linked by C—H...π interactions forming chains along [10-1].

scholarly journals Crystal structure of 1,4-diethoxy-9,10-anthraquinone

2015 ◽  
Vol 71 (7) ◽  
pp. o504-o505 ◽  
Author(s):  
Chitoshi Kitamura ◽  
Sining Li ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Katsuhiko Ono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H16O4, contains two crystallographically independent molecules. The anthraquinone ring systems are slightly bent with dihedral angles of 2.33 (8) and 13.31 (9)° between the two terminal benzene rings. In the crystal, the two independent molecules adopt slipped-parallel π-overlap with an average interplanar distance of 3.45 Å, forming a dimer; the centroid–centroid distances of the π–π interactions are 3.6659 (15)–3.8987 (15) Å. The molecules are also linked by C—H...O interactions, forming a tape structure along thea-axis direction. The crystal packing is characterized by a dimer-herringbone pattern.

scholarly journals 3,5-Bis(4-methoxyphenyl)-1H-1,2,4-triazole monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1260-o1260
Author(s):  
Hai-Ying Wang ◽  
Jian-Ping Ma ◽  
Ru-Qi Huang ◽  
Yu-Bin Dong
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Double Chain ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C16H15N3O2·H2O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong intermolecular O—H...N and N—H...O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to theaaxis. Weak π—π interactions between the benzene rings of neighboring chains with a centroid–centroid distance of 3.893 (4) Å result in the formation of layers parallel to theacplane.

scholarly journals 5-{[1-(2,4-Dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5H-dibenz[b,f]azepine

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
K. S. Vinay Kumar ◽  
Chandra ◽  
B. M. Rajesh ◽  
M. Mahendra ◽  
M. P. Sadashiva
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings

In the molecule of the title compound, C23H16Cl2N4, the dihedral angle between the benzene rings fused to the azepine ring is 52.00 (6)°. The plane of the triazole ring makes dihedral angles of 74.40 (5), 25.56 (8) and 44.78 (6)° with the planes of the benzene rings of the dibenzoazepine moiety and the dichlorophenyl ring, respectively. The azepine ring adopts a boat conformation. There are no classical hydrogen bonds in the crystal.

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