scholarly journals Crystal structure of 5-[bis(4-ethoxyphenyl)amino]thiophene-2-carbaldehyde

2014 ◽  
Vol 70 (9) ◽  
pp. o1075-o1076 ◽  
Author(s):  
Jing-Yun Tan ◽  
Ming Kong ◽  
Jie-Ying Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C21H21NO3S, the planes of the two benzene rings are nearly perpendicular to one another [dihedral angle = 84.50 (10)°] and they are oriented with respect to the plane of the thiophene ring at dihedral angles of 59.15 (9) and 66.61 (9)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming supramolecular chains propagating along theb-axis direction.

scholarly journals Crystal structure of 10a-hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1H-xanthene-1,8(2H)-dione

2015 ◽  
Vol 71 (12) ◽  
pp. 1510-1512
Author(s):  
Xin-Yuan Zhang ◽  
Bing-Xiang Hu ◽  
Ze-Yu Zhou ◽  
Lei Zhou ◽  
Fang-Ming Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the octahydroxanthenedione unit of the title compound, C31H27NO6, the central dihydropyran ring shows an envelope conformation, while the bilateral cyclohexene and cyclohexane rings adopt a half-boat conformation and a chair conformation, respectively. The nitrobenzene ring is twisted with respect to the two benzene rings, making dihedral angles of 63.1 (1) and 63.0 (1)°. In the crystal, O—H...O hydrogen bonds link the molecules into supramolecular chains propagating along thea-axis direction.

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 Crystal structure ofN-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(E)-(2-hydroxybenzylidene)amino]acetamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1011-o1012
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Imine Bond

In the title compound, C22H19ClN2O3S, the dihedral angle between the mean planes of the thiophene ring and the chlorophenyl and hydroxyphenyl rings are 70.1 (1) and 40.2 (4)°, respectively. The benzene rings are twisted with respect to each other by 88.9 (3)°. The imine bond lies in anEconformation. Intramolecular O—H...N and N—H...O hydrogen bonds each generateS(6) ring motifs. In the crystal, weak C—H...O interactions link the molecules, forming chains along thecaxis and zigzag chains along thebaxis, generating sheets lying parallel to (100).

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 Crystal structure of mandipropamid

2015 ◽  
Vol 71 (10) ◽  
pp. o727-o728
Author(s):  
Hyunjin Park ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C23H22ClNO4(systematic name: (RS)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide), an amide fungicide, the dihedral angle between the chlorobenzene and benzene rings is 65.36 (6)°. In the crystal, N—H...O hydrogen bonds lead to zigzag supramolecular chains along thecaxis (glide symmetry). These are connected into layers by C—H...O and C—H...π interactions; the layers stack along theaaxis with no specific intermolecular interactions between them.

scholarly journals Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1018-o1019 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.008 Å] and the 4-methylphenyl ring is 77.29 (4)°. In the crystal, molecules are linked by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.743 (2) Å]. The molecules are stacked along thea-axis direction. In addition, pairs of C—H...O hydrogen bonds are observed between inversion-related dimers: these generateR22(12) loops.

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 Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate

2015 ◽  
Vol 71 (12) ◽  
pp. o908-o909
Author(s):  
M. S. Krishnamurthy ◽  
N. L. Prasad ◽  
H. Nagarajaiah ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Dihedral Angles ◽  
Compound C

In the title compound, C16H23N3O3S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2group subtends a dihedral angle of 44.92 (18)° with the thiophene ring. An intramolecular C—H...O hydrogen bond generates anS(6) ring. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(14) loops. In addition, a weak C—H...π interaction is observed.

scholarly journals Crystal structure of 5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1028-o1028
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-methylphenyl ring is 70.35 (5)°. In the crystal, molecules are linked by pairs of π–π interactions between the furan and benzene rings, with centroid–centroid distances of 3.667 (3) and 3.701 (3) Å. The molecules stack along thea-axis direction. In addition, pairs of C—H...O hydrogen bonds between inversion-related dimers [which generateR22(10) loops] and a short I...I [3.7534 (3) Å] contact are observed.

scholarly journals 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (7) ◽  
pp. o766-o767 ◽  
Author(s):  
Fatmah A. M. Al-Omary ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that encloseR22(8) loops. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent dimeric units into supramolecular chains extending along thea-axis direction.

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