scholarly journals 4a-Methyl-2,3,4,4a-tetrahydro-1H-carbazole-6-sulfonamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1050-o1050
Author(s):  
Abdulrahman O. Al-Youbi ◽  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Partially Saturated ◽  
Saturated Ring ◽  
Title Molecule ◽  
Adjacent Molecule

In the title molecule, C13H16N2O2S, the nine non-H atoms comprising the indole residue are approximately coplanar (r.m.s. deviation = 0.031 Å). The partially saturated ring adopts a chair conformation. One amine H forms an intermolecular N—H...O hydrogen bond to a sulfonamide O atom, while the other amine H form is connected to the indole N atom of an adjacent moleculeviaan N—H...N hydrogen bond, resulting in a three-dimensional architecture.

scholarly journals N-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1921-o1921 ◽  
Author(s):  
Farhana Aman ◽  
Waseeq Ahmad Siddiqui ◽  
Adnan Ashraf ◽  
Hamid Latif Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is stabilized by an intramolecular O—H...O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of C—H...O interactions, leading to the formation of a three-dimensional network.

scholarly journals Crystal structure of 2-pentyloxybenzamide

2014 ◽  
Vol 70 (10) ◽  
pp. 231-234
Author(s):  
Bernhard Bugenhagen ◽  
Yosef Al Jasem ◽  
Thies Thiemann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Amide Group ◽  
The Other ◽  
Dihedral Angles ◽  
Framework Structure ◽  
The Mean ◽  
Title Molecule

In the title molecule, C12H17NO2, the amide NH2group is oriented toward the pentyloxy substituent and an intramolecular N—H...O hydrogen bond is formed with the pentyloxy O atom. The benzene ring forms dihedral angles of 2.93 (2) and 5.60 (2)° with the amide group and the pentyloxy group mean planes, respectively. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with their molecular planes parallel, but at an offset of 0.45 (1) Å to each other. These dimers are ordered into two types of symmetry-related columns extended along theaaxis, with the mean plane of one set of dimers in a column approximately parallel to (121) and the other in a column approximately parallel to (1-21). The two planes form a dihedral angle of 85.31 (2)°, and are linkedviaC—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional framework structure.

scholarly journals Limonin isolated from the seeds ofCitrus limetta(Indian sweet lemon)

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
Quynh Nguyen Do Nhu
Keyword(s):  
Furan Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Dimensional Structure ◽  
Cyclic System ◽  
Bioactive Molecule ◽  
Title Molecule ◽  
Steric Hinderance ◽  
Twist Boat

The title molecule, C26H30O8[systematic name: (4aS,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4′,3′:3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione], commonly known as limonin, is an antiproliferative polyoxgenated bioactive molecule. It comprises a fused cyclic system containing a cyclohexane (D), a cyclohexanone (C), a furan (B), an epoxide and two lactone rings (AandE). In addition to these rings, a second furan ring (F) is present as a substituent. Only the cyclohexane (D) ring has a chair conformation; the other six-membered rings (A,CandE) have twist-boat conformations due to steric hinderance or bonding strain. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional structure.

scholarly journals 3-Amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1118-o1119 ◽  
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Khalid A. Alamry ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Acta Cryst ◽  
Partially Saturated ◽  
Compound C ◽  
Saturated Ring ◽  
Base Vector ◽  
Supramolecular Chains

In the title compound, C24H19N3O2, the partially saturated ring adopts a distorted half-chair conformation with the methylene-C atom closest to the aminobenzene ring lying 0.664 (3) Å out of the plane defined by the five remaining atoms (r.m.s. deviation = 0.1429 Å. The dihedral angle [32.01 (10)°] between the benzene rings on either side of this ring indicates a significant fold in this part of the molecule. The dimethoxy-substituted benzene ring is almost orthogonal to the benzene ring to which it is attached [dihedral angle = 72.03 (9)°]. The molecule has been observed previously as the major component of a 1:19 co-crystal with 2-amino-4-(3,4-dimethoxyphenyl)-5,6-dihydrobenzo[ha]quinoline-3-carbonitrile [Asiriet al.(2011).Acta Cryst. E67, o2873–o2873]. Supramolecular chains with base vector [201] are formed in the crystal structureviaN—H...O hydrogen bonds between the amino H atoms of one molecule interacting with the methoxy O atoms of a neighbouring molecule. The chains are linked into a three-dimensional architecture by C—H...π interactions.

scholarly journals Crystal structure of 4-({5-[(E)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl

2015 ◽  
Vol 71 (7) ◽  
pp. 864-866
Author(s):  
Ramazan Tatsız ◽  
Veli T. Kasumov ◽  
Tuncay Tunc ◽  
Tuncer Hökelek
Keyword(s):  
Dihedral Angle ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent molecules. In one molecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other molecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two molecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N—O bonds. An intramolecular O—H...N hydrogen bond between the hydroxy group and the imine N atom is observed in both molecules. In the crystal, weak C—H...O and C—H...F hydrogen bonds, enclosingR22(6) ring motifs, and weak π–π stacking interactions link the molecules into a three-dimensional supramolecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent molecules of 3.975 (2) and 3.782 (2) Å.

(1R*,5R*,7R*,8S*)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3-methyl-2-butenyl)-8-(4-methyl-3-pentenyl)bicyclo[3.3.1]non-3-ene-2,9-dione

2007 ◽  
Vol 63 (3) ◽  
pp. o1282-o1284 ◽  
Author(s):  
Bruno Ndjakou Lenta ◽  
Diderot Tchamo Noungoue ◽  
Krishna Prasad Devkota ◽  
Patrice Aime Fokou ◽  
Silvere Ngouela ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Medicinal Plant ◽  
Chair Conformation ◽  
The Other ◽  
Aryl Group ◽  
One Dimensional ◽  
Compound C ◽  
Bicyclic System ◽  
Symphonia Globulifera

The title compound, C38H50O6, also known as guttiferone A, was isolated from the medicinal plant Symphonia globulifera. It is a benzophenone derivative where one aryl group is derivatized to give a bicyclic system which has two prenyl groups attached to the bridgehead. One of the cyclohexane rings in the bicyclic system is in a chair form, while the other has a distorted half-chair conformation. In addition to an intramolecular O—H...O hydrogen bond, intermolecular O—H...O hydrogen bonds link molecules into one-dimensional chains.

scholarly journals 1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1793-o1794
Author(s):  
Ignez Caracelli ◽  
Paulo R. Olivato ◽  
Carlos R. Cerqueira Jr ◽  
Jean M. M. Santos ◽  
Seik Weng Ng ◽  
...  
Keyword(s):  
Phenyl Ring ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Twisted Boat ◽  
Supramolecular Chains

The piperidone ring in the title compound, C18H19NOS2, is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methylene C atom of the propyl backbone lying 0.606 (2) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197 Å). One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97 (6) and 44.21 (7)°, respectively]. The most prominent feature of the crystal packing is the formation of helical supramolecular chains along the b axis sustained by C—H...O interactions. The chains are consolidated into a three-dimensional architecture via C—H...π interactions whereby one S-bound phenyl ring accepts two C—H...π contacts.

scholarly journals Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate

2014 ◽  
Vol 70 (12) ◽  
pp. o1254-o1255 ◽  
Author(s):  
Muhammad Nawaz Tahir ◽  
Muhammad Naeem Ahmed ◽  
Arshad Farooq Butt ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Water Molecule ◽  
Organic Molecule ◽  
Three Dimensional ◽  
Acid Group ◽  
The Other ◽  
Hydroxybenzoic Acid ◽  
Dimensional Network

In the title hydrate, C11H11NO6·H2O, the organic molecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intramolecular O—H...O hydrogen bond closes anS(6) ring. In the crystal, the benzoic acid group participates in an O—H...O hydrogen bond to the water molecule and accepts a similar bond from another water molecule. The other –CO2H group forms a carboxylic acid inversion dimer, thereby forming anR22(8) loop. These bonds, along with N—H...O and C—H...O interactions, generate a three-dimensional network.

scholarly journals 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carboxyprop-2-enoate

2014 ◽  
Vol 70 (6) ◽  
pp. o702-o703 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bond ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Axis Direction ◽  
Π Interactions ◽  
Centroid Distance

In the cation of the title salt, C8H13N4+·C4H3O4−, the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O—H...O intermolecular hydrogen bond links the anions, forming chains along thec-axis direction. The chains of anions are linked by the cations,viaN—H...O hydrogen bonds, forming sheets parallel to (100). These layers are linked by weak C—H...O hydrogen bonds, forming a three-dimensional structure. In addition, there are weak π–π interactions [centroid–centroid distance = 3.820 (9) Å] present involving inversion-related pyrimidine rings.

scholarly journals Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)butane-1,3-dione

2015 ◽  
Vol 71 (1) ◽  
pp. o19-o19 ◽  
Author(s):  
Markus Schwierz ◽  
Helmar Görls ◽  
Wolfgang Imhof
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Carbonyl Groups ◽  
Infinite Layer ◽  
Compound C ◽  
Methylene Groups ◽  
Additional Hydrogen Bond ◽  
Additional Hydrogen

In the title compound, C9H13Cl2NO2, the piperidine ring shows a chair conformation and the O—C—C—O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, molecules are linked into an infinite layer along theabplane by a bifurcated C—H...O hydrogen bond between the carbonyl O atom adjacent to the methyl group and one of the methylene groups next to nitrogen and an additional hydrogen bond of the C—H...Cl type. These layers are connected into a three-dimensional supramolecular arrangement by O...Cl contacts [2.8979 (12) and 3.1300 (12) Å].

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