3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

scholarly journals Crystal structure of 1-{1-[2-(phenylselanyl)phenyl]-1H-1,2,3-triazol-4-yl}cyclohexan-1-ol

2015 ◽  
Vol 71 (3) ◽  
pp. o200-o201 ◽  
Author(s):  
Leandro R. S. Camargo ◽  
Julio Zukerman-Schpector ◽  
Anna M. Deobald ◽  
Antonio L. Braga ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Supramolecular Chains

Two independent molecules,AandB, comprise the asymmetric unit of the title compound, C20H21N3OSe. While the benzene ring directly bound to the central triazole ring is inclined to the same extent in both molecules [dihedral angles = 40.41 (12) (moleculeA) and 44.14 (12)° (B)], greater differences are apparent in the dihedral angles between the Se-bound rings,i.e.74.28 (12) (moleculeA) and 89.91 (11)° (B). Close intramolecular Se...N interactions of 2.9311 (18) (moleculeA) and 2.9482 (18) Å (B) are noted. In the crystal, supramolecular chains along theaaxis are formedviaO—H...N hydrogen bonding. These are connected into layersviaC—H...O and C—H...N interactions; these stack along (01-1) without directional intermolecular interactions between them.

scholarly journals Crystal structure of (4Z)-4-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o393-o394
Author(s):  
Muhammad Shahid ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Salim ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules ◽  
Centrosymmetric Dimers

In the the asymmetric unit of the title compound, C19H15ClN2O2, there are two symmetry-independent molecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong intramolecular O—H...O hydrogen bond with theS(6) motif is observed in both molecules. Pairs of π–π stacking interactions between the phenyl groups [centroid–centroid distances = 3.6627 (13) and 3.7156 (14) Å] assemble the molecules into two types of centrosymmetric dimers. Weak C—H...O interactions connect molecules into chains along thebaxis.

Diphenylcarbonohydrazide–phenylsemicarbazide (1/1)

2006 ◽  
Vol 62 (5) ◽  
pp. o1719-o1721
Author(s):  
Chun-Xia Wei ◽  
Jian-Xin Chen ◽  
Zhong-Shui Li ◽  
Ting-Yan Lan ◽  
Yuan-Biao Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

In the title compound, C13H14N4O·C7H9N3O, a phenylcarbonohydrazide molecule cocrystallizes with a phenylsemicarbazide molecule. In the crystal structure, extensive hydrogen-bonding and π–π stacking interactions stabilize the structure.

scholarly journals 1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea

2012 ◽  
Vol 68 (6) ◽  
pp. o1801-o1801 ◽  
Author(s):  
Nurziana Ngah ◽  
Maisara Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Thioamide Group ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H12ClN3O3S, contains two independent molecules with different conformations in which the benzene ring and the thiourea fragment form dihedral angles of 87.28 (12) and 66.44 (10)°. The O atom of the thioamide group is involved in bifurcated N—H...O intra- and intermolecular hydrogen bonding; the latter interaction links the independent molecules into a dimer. In the crystal, N—H...S interactions link the molecules into chains propagating along the c axis.

scholarly journals 4-Chloro-N-methylbenzamide

2012 ◽  
Vol 68 (4) ◽  
pp. o937-o937
Author(s):  
Juan Yuan ◽  
Yan-Ju Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Amide Group ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

There are two molecules in the asymmetric unit of the title compound, C8H8ClNO, which are linked in the crystal structureviaN—H...O hydrogen bonds into chains along thebaxis. C—H...O contacts also occur. The benzene ring makes dihedral angles of 5.9 (1) and 16.7 (1)°with the attached amide group in the two independent molecules.

scholarly journals Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (1) ◽  
pp. 28-30 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Turganbay S. Iskenderov ◽  
Natalia O. Sharkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Independent Molecules ◽  
Phenol Ring

The title compound, C19H16N2O, crystallized with two independent molecules (AandB) in the asymmetric unit. There is an intramolecular O—H...N hydrogen bond in each molecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in moleculesAandB, respectively. The conformation of the two molecules differs essentially in the orientation of the terminal aminophenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in moleculeAand 54.61 (14)° in moleculeB. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in moleculesAandB, respectively. In the crystal, molecules are connected by N—H...O hydrogen bonds generating –A-B–A–B– zigzag chains extending along [010]. The chains are linkedviaC—H...π interactions involving neighbouringAmolecules, forming slabs lying parallel to (100).

scholarly journals Crystal structure of 5-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-6-methylcyclohex-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. 16-18
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
J. Sidharthan ◽  
R. Vasanthi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C27H26O3, crystallized with two independent molecules (AandB) in the asymmetric unit. In moleculeA, the plane of the central benzene ring forms dihedral angles of 75.78 (14) and 52.75 (16)° with that of the terminal benzene rings, and the dihedral angle between the planes of the terminal benzene rings is 51.49 (17)°. The corresponding values for moleculeBare 75.18 (14), 58.11 (16) and 47.91 (16)°, respectively. The cyclohexene ring adopts an envelope conformation in both molecules, with the C atom to which is attached the central benzene ring as the flap. The crystal packing, is stabilized by C—H...π interactions.

1,3:4,6-Di-O-benzylidene-N-cinnamyl-2,5-dideoxy-2,5-imino-L-iditol

2006 ◽  
Vol 62 (7) ◽  
pp. o3115-o3116 ◽  
Author(s):  
Chu-Yi Yu ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

In the crystal structure of the title compound, C29H27NO5, the molecules assemble into a network structure by both intermolecular C—H...O hydrogen bonding and C—H...π stacking interactions.

scholarly journals N-Methyl-N-nitroso-p-toluenesulfonamide

2014 ◽  
Vol 70 (7) ◽  
pp. o782-o782
Author(s):  
Kartik Rai ◽  
Vincent Wu ◽  
Priya Gupta ◽  
David A. Laviska ◽  
Benny C. Chan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The crystal structure of the title compound, C8H10N2O3S, displays predominant C—H...O hydrogen-bonding and π–π stacking interactions. The hydrogen bonds are between the O atoms of the sulfonyl group and H atoms on methyl groups. The π–π stacking interactions occur between adjacent aromatic rings, with a centroid–centroid distance of 3.868 (11) Å. These interactions lead to the formation of chains parallel to (101).

scholarly journals 3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole

2009 ◽  
Vol 65 (6) ◽  
pp. o1225-o1225
Author(s):  
Lu-Tong Yuan ◽  
Hai Zhang ◽  
Zuo-Xiang Wang ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Centroid Distance

In the molecule of the title compound, C19H15N5, the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl andp-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C—H...π hydrogen-bonding interactions and by π–π stacking interactions, with a centroid–centroid distance of 3.794 (4) Å.

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