scholarly journals Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae)

2018 ◽  
Vol 74 (4) ◽  
pp. 518-521
Author(s):  
Simone S. Grecco ◽  
Gerold Jerz ◽  
Joao Henrique G. Lago ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methyl Ether ◽  
Title Compound ◽  
Side Chains ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Torsion Angles ◽  
Compound C

In the title compound, C21H24O4 (systematic name: 4,5′-diallyl-2,2′,3′-trimethoxydiphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car—C—C=C (ar = aromatic) torsion angles of −123.62 (12) and −115.54 (12)°. A possible weak intramolecular C—H...O interaction is observed. In the crystal, molecules are connected by two C—H...O hydrogen bonds, forming undulating layers lying parallel to the bc plane. Weak C—H...π and π–π stacking interactions also occur.

scholarly journals Crystal structure of (E)-N'-[1-(4-aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate

2018 ◽  
Vol 74 (7) ◽  
pp. 910-914
Author(s):  
Cong Nguyen Tien ◽  
Huong Le Thi Thu ◽  
Thin Nguyen Van ◽  
Trung Vu Quoc ◽  
Manh Vu Quoc ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C15H14IN3O2·CH3OH, two aromatic rings are linked by an N-substituted hydrazide function. The dihedral angle between the aromatic rings is 10.53 (8)°. The stereochemistry about the imine function is E. The methanol molecule forms an O—H...O hydrogen bond to the hydrazide O atom. In the crystal, chains of molecules running along the c-axis direction are formed by O—H...O hydrogen bonds. Adjacent chains are linked through N—H...O hydrogen bonds and π–π stacking interactions. The intermolecular interactions in the crystal packing were investigated using Hirshfeld surface analysis, which indicated that the most significant contacts are H...H (38.2%), followed by C...H/H...C (20.6%), O...H/H...O (11.1%) and I...H/H...I (9.7%).

scholarly journals Crystal structure of (E)-N-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate

2015 ◽  
Vol 71 (6) ◽  
pp. 602-605 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Hydrogen Atoms ◽  
Torsion Angles ◽  
Compound C ◽  
Corrugated Sheets

The molecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the molecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between thep-toluenesulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H...O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H...O contacts present within the sheets.

scholarly journals Crystal structure of diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonateN,N-dimethylformamide monosolvate

2014 ◽  
Vol 70 (9) ◽  
pp. o919-o920
Author(s):  
Qing-Ming Wang ◽  
Ming-Juan Zhu ◽  
Jin-Ming Yang ◽  
Shan-Shan Wang ◽  
Yan-Fang Shang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Double Layers ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C17H21ClNO4P·C3H7NO, the dihedral angle formed by the aromatic rings is 83.98 (7)°. In the crystal, O—H...O, N—H...O and C—H...O hydrogen bonds link the molecules into double layers parallel to (011).

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 PhenylN-phenylcarbamate

2009 ◽  
Vol 65 (6) ◽  
pp. o1363-o1363 ◽  
Author(s):  
Durre Shahwar ◽  
M. Nawaz Tahir ◽  
M. Sharif Mughal ◽  
Muhammad Akmal Khan ◽  
Naeem Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Polymeric Chains

In the title compound, C13H11NO2, the aromatic rings are oriented at a dihedral angle of 42.52 (12)°. The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds, which form infinite one-dimensional polymeric chains extending along theaaxis. C—H...π interactions between the aromatic rings are also present.

3-(Trifluoromethyl)anilinium 2-carboxy-4,5-dichlorobenzoate

2007 ◽  
Vol 63 (11) ◽  
pp. o4374-o4375 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
A Chain

The crystal structure of the title compound, C7H7F3N+·C8H3Cl2O4 −, is stabilized by five N—H...O, one O—H...O, two C—H...O and three C—H...X (X = F, Cl) hydrogen bonds. Intramolecular O—H...O and C—H...X hydrogen bonds generate edge-fused [S(7)R 4 4(24)S(7)R 2 2(10)S(7)R 4 4(24)S(7)] motifs. The cations and anions are linked to each other by C—H...O hydrogen bonds, forming a chain along the c axis. This chain and the other hydrogen bonds form [R 3 2(6)R 1 2(4)S(7)R 1 2(4)R 4 4(18)R 5 5(24)R 4 4(18)R 1 2(4)R 1 2(4)S(7)R 1 2(4)R 3 2(6)] motifs. The dihedral angle between the planes of the aromatic rings in the cation and anion is 34.86 (1)°.

scholarly journals Crystal structure of 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one

2015 ◽  
Vol 71 (5) ◽  
pp. o304-o305 ◽  
Author(s):  
Noura M. Riad ◽  
Darius P. Zlotos ◽  
Ulrike Holzgrabe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Receptor Antagonist ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Aromatic Rings ◽  
Compound C

The title compound, C12H9N3O, is an intermediate in the synthesis of the muscarinic M2 receptor antagonist AFDX-384. The seven-membered ring adopts a boat conformation and the dihedral angle between the planes of the aromatic rings is 41.51 (9)°. In the crystal, molecules are linked into [001] chains of alternating inversion dimers formed by pairs of N—H...O hydrogen bonds and pairs of N—H...N hydrogen bonds. In both cases,R22(8) loops are generated.

1-Benzoyl-3-(3,4-dichlorophenyl)thiourea

2006 ◽  
Vol 62 (4) ◽  
pp. o1380-o1381 ◽  
Author(s):  
M. Khawar Rauf ◽  
Amin Badshah ◽  
Ulrich Flörke ◽  
Aamer Saeed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Compound C ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C14H10Cl2N2OS, the dihedral angle between the two aromatic rings is 38.58 (6)°. In the crystal structure, centrosymmetric dimers are formed via intermolecular N—H...S hydrogen bonds [N...S = 3.4798 (16) Å]. These dimeric units are, in turn, connected by weak intermolecular C—H...O hydrogen bonds, forming one-dimensional chains along [100].

scholarly journals 1,3-Dinitrosoimidazolidine

2012 ◽  
Vol 68 (8) ◽  
pp. o2440-o2440
Author(s):  
Augusto Rivera ◽  
Diego Quiroga ◽  
Jaime Ríos-Motta ◽  
Michal Dušek ◽  
Karla Fejfarová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Spatial Arrangement ◽  
The Other ◽  
Torsion Angles ◽  
Compound C ◽  
Partial Disorder

The title compound, C3H6N4O2, exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relativesynspatial arrangement [O=N...N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has anantidisposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH2—CH2—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H...O hydrogen bonds.

scholarly journals Crystal structure of 4-bromo-N-(2-hydroxyphenyl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1261-o1262 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Vanessa Melo ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C ◽  
The Mean

In the title compound, C13H10BrNO2, the mean plane of the non-H atoms of the central amide C—N—C(=O)—C fragment (r.m.s. deviation = 0.004 Å) forms a dihedral angle of 73.97 (12)° with the hydroxy-substituted benzene ring and 25.42 (19)° with the bromo-substituted benzene ring. The two aromatic rings are inclined to one another by 80.7 (2)°. In the crystal, molecules are linked by O—H...O and N—H...O hydrogen bonds, forming chains along [010]. The chains are linked by weak C—H...O hydrogen bonds, forming sheets parallel to (100), and enclosingR33(17) andR32(9) ring motifs.

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