scholarly journals 6-Bromo-2-(diprop-2-ynylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1852-o1852
Author(s):  
Jing-Song Lv ◽  
Jun-Lei Wang ◽  
Cheng-He Zhou
Keyword(s):  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H11BrN2O2, contains two independent molecules in which the prop-2-ynylamino groups have different mutual orientations. In one molecule, the Br atom is disordered over two positions, with refined occupancies of 0.742 (2) and 0.258 (2).

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 3-Benzyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Walid Guerrab ◽  
Rachida Akrad ◽  
Mhammed Ansar ◽  
Jamal Taoufik ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Corrugated Sheets ◽  
Benzyl Substituent

The asymmetric unit of the title compound, C22H18N2O2, consists of two independent molecules differing primarily in the orientation of the benzyl substituent. The two independent molecules are associated through complementary C—H...π interactions and are elaborated into corrugated sheets by paired N—H...O and C—H...O hydrogen bonds. Additional C—H...O hydrogen bonds bind the sheets together.

scholarly journals (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Kathleen S. Lee ◽  
Luke Turner ◽  
Cynthia B. Powell ◽  
Eric W. Reinheimer
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ring ◽  
Room Temperature ◽  
Solid Phase ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp 3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio.

scholarly journals MethylN-hydroxy-N-(2-methylphenyl)carbamate

2013 ◽  
Vol 69 (2) ◽  
pp. o230-o230
Author(s):  
Binbin Zhang ◽  
Yifeng Wang ◽  
Kun Dong ◽  
Danqian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

There are three independent molecules in the asymmetric unit of the title compound, C9H11NO3, which are connected by O—H...O hydrogen bonds, forming anR33(15) ring. The dihedral angles between the planes of the benzene and amide groups are 75.16 (3), 71.47 (3) and 70.56 (3)°. The hydroxy O atom lies 0.912 (3), 1.172 (2) and 1.339 (2) Å from the mean plane of the corresponding benzene ring in the three molecules.

scholarly journals 4-Cyano-3,5-bis(phenyl)pyrazole

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Ningfeng Zhao ◽  
Aanuoluwapo Adeyemi ◽  
Arielle Pompilius
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

There are two independent molecules in the asymmetric unit of the title compound, C16H11N3. The molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(6) ring motif.

scholarly journals 5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o258-o258
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H17FOS, contains two independent molecules (AandB). The dihedral angles between the benzofuran ring systems [r.m.s. deviations of 0.026 (1), 0.004 (1) and 0.003 (1) Å, respectively, for moleculeA, and 0.002 (1), 0.004 (1) and 0.005 (1) Å forB] and the pendant 4-fluorophenyl and 4-methylphenyl rings are 39.48 (4) and 30.86 (5)°, respectively, for moleculeA, and 33.34 (6) and 20.99 (8)° forB. In the crystal, molecules are linked by weak C—H...F and C—H...π interactions, resulting in a three-dimensional network.

scholarly journals Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. 379-381
Author(s):  
Brigita Vigante ◽  
Dmitrijs Stepanovs ◽  
Andrejs Pelss ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H14N2O3, contains two independent molecules with similar conformations. In the both molecules, the cyclohexene rings adopt the same envelope conformation with the flap C atoms lying 0.658 (3) and 0.668 (3) Å from the mean planes formed by the remaining atoms. In the crystal, adjacent molecules are connectedviaN—H...O hydrogen bonds and weak C—H...O interactions, forming supramolecular layers parallel to (-101).

3-Ethylpentan-3-ol

2006 ◽  
Vol 62 (5) ◽  
pp. o2064-o2065 ◽  
Author(s):  
Andrew D. Bond
Keyword(s):  
Crystal Structure ◽  
Crystal Growth ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The crystal structure of the title compound, C7H16O, has been determined at 150 (2) K following in situ crystal growth from the liquid. The structure contains four independent molecules in the asymmetric unit, forming a fourfold cyclic arrangement via O—H...O hydrogen bonds.

scholarly journals 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid

2014 ◽  
Vol 70 (6) ◽  
pp. o696-o697
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H18O3, comprises three independent molecules with similar geometries. In each molecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three molecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, molecules are oriented with respect to their carbonyl groups, forming head-to-head dimersviaO—H...O hydrogen bonds. Adjacent dimers are further interconnected by C—H...O hydrogen bonds into chains along thea-axis direction. The crystal structure is further stabilized by weak C—H...π interactions.

scholarly journals 2-(1,3-Benzodioxol-5-yl)-1H-benzimidazole

2014 ◽  
Vol 70 (2) ◽  
pp. o157-o157
Author(s):  
Nadir Ghichi ◽  
Mohamed Amine Benaouida ◽  
Ali Benosmane ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H10N2O2, contains two independent molecules. In each molecule, the benzodioxole ring system displays an envelope conformation, with the methylene C atom located at the flap deviating by 0.081 (2) and 0.230 (2) Å from the mean plane formed by the other atoms. The dihedral angles between the benzoimidazole ring system (all atoms) and the benzodioxole benzene ring are 15.35 (6) and 10.99 (7)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into chains running along the [101].

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