scholarly journals 1-Benzyl-5-nitro-1H-indazole

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Mohammed Boulhaoua ◽  
Mohammed Mokhtar Abdelahi ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H11N3O2, contains two independent molecules linked by a C—H...O hydrogen bond. Pairs of neighboring dimeric units associateviaπ–π stacking interactions.

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.

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.

(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime

2006 ◽  
Vol 62 (5) ◽  
pp. o1946-o1947
Author(s):  
Xiang Li ◽  
Da-Min Tian
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C9H10BrNO3, which exists as the E isomer, crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are normal. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, which link the molecules into circular tetramers, and by weak π–π stacking interactions.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1674-o1674 ◽  
Author(s):  
Xin Wu ◽  
Cai-Xia Yuan ◽  
Ling Ma ◽  
Kai-Lu Zhai ◽  
Miao-Li Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H13BrN4OS, contains two independent molecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R 2C=S. An intramolecular O—H...N hydrogen bond occurs in each molecule. The crystal structure features weak N—H...S interactions and π–π stacking of the benzene rings [centroid–centroid distance = 3.667 (3) Å].

scholarly journals 4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Mohamed El Hafi ◽  
Mohammed Boulhaoua ◽  
Youssef Ramli ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Side Chain ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Two Component ◽  
Independent Molecules

The asymmetric unit of the title compound, C8H6N4S, consists of two independent molecules differing in the orientation of the side chain. In the crystal, molecules form dimers through N—H...N hydrogen bonds. The dimers stack along thea-axis direction with weak π–π stacking interactions [centroid–centroid distances of 3.898 (2) and 3.908 (2) Å]. The crystal studied was refined as a two-component twin.

scholarly journals 1-Benzyl-3-methylquinoxalin-2(1H)-one

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Youssef Ramli ◽  
Youness El Bakri ◽  
L'houssaine El Ghayati ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
The Third ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimersviaoffset π-stacking interactions. For two of these dimers, stacks are formed approximately along thea-axis direction by a combinations of C—H...N and C—H...π(ring) contacts, in addition to the offset π-stacking interactions. The third set of dimers are also stacked in the same direction but only by pairwise C—H...N hydrogen bonds.

scholarly journals 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (5) ◽  
pp. o574-o575
Author(s):  
Cai-Xia Yuan ◽  
Xu-Mei Yao ◽  
Miao-Li Zhu ◽  
Hong-Mei Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C11H11ClN4OS, crystallizes with two molecules,AandB, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both molecules feature an intramolecular O—H...N hydrogen bond, which generates anS(6) ring. In the crystal,A–Bdimers are linked by pairs of weak C—H...S hydrogen bonds along with π–π stacking interactions between the triazole rings [centroid–centroid separations = 3.631 (3) and 3.981 (4)Å]. N—H...S hydrogen bonds link the dimers into [100] chains, which featureR22(8) loops.

scholarly journals 5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Fatim-Zahrae Qachchachi ◽  
Joel T. Mague ◽  
Youssef Kandri Rodi ◽  
Amal Haoudi ◽  
Younes Ouzidan ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H8FNO2, consists of two independent molecules having different conformations and associated through pairwise C—H...F hydrogen bonds. These units form `stairstep' stacks along theb-axis directionviaπ–π stacking interactions between dihydroindole moieties, with interplanar spacings of 3.578 (3) and 3.627 (3) Å. The stacks are tied together by weak C—H...O hydrogen bonds.

scholarly journals Methyl 2-phenylquinoline-4-carboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Khalid A. Al-badrany ◽  
Ehab A. Ahmed
Keyword(s):  
Title Compound ◽  
Phenyl Group ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Rotational Orientation ◽  
Independent Molecules ◽  
Quinoline Moiety

The asymmetric unit of the title compound, C17H13NO2, contains two independent molecules which differ primarily in the rotational orientation of the pendant phenyl group, being conrotatory, with respect to the plane of the quinoline moiety. In the crystal, the molecules form stacks parallel to the b axis through π–π stacking interactions of the heterocyclic rings [shortest inter-centroid distance = 3.5775 (8) Å].

scholarly journals 9-[3-(9H-Carbazol-9-yl)-5-iodophenyl]-9H-carbazole

IUCrData ◽  
2021 ◽  
Vol 6 (4) ◽  
Author(s):  
Dan Yan
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
The Mean ◽  
Independent Molecules

In the title compound, C30H19IN2, two independent molecules (A and B) are present in the asymmetric unit, with different conformations. The dihedral angle between the mean planes of the carbazole systems for molecule A is 49.1 (2)° compared to 84.0 (1)° for molecule B. In the crystal, numerous aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.7069 (19) Å] help to establish the three-dimensional supramolecular network.

Sign in / Sign up

Export Citation Format

Share Document