scholarly journals 2,2-Dimethyl-2,3-dihydro-1H-perimidine

2013 ◽  
Vol 69 (2) ◽  
pp. o246-o246 ◽  
Author(s):  
Sarah Maloney ◽  
Alexandra M. Z. Slawin ◽  
J. Derek Woollins
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Ring System ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Independent Molecules

The title compound, C13H14N2, was obtained from reaction of diaminonaphthalene with acetone. In both independent molecules in the asymmetric unit, the tricyclic perimidine consists of a planar (r.m.s. deviations = 0.0125 and 0.0181 Å) naphthalene ring system and an envelope conformation C4N2ringwith the NCN group hinged with respect to the naphthalene backbone by 36.9 (2) and 41.3 (2)° in the two independent molecules. The methyl substituents are arranged approximately axial and equatorial on the apical C atom. In the crystal, one of the N—H groups of one independent molecule is involved in classical N—H...N hydrogen bonding. Short intermolecular (C/N)—H...π(arene) interactions, near the short T-shaped limit, link molecules in the absence of strong acceptors.

scholarly journals 2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

2013 ◽  
Vol 69 (2) ◽  
pp. o193-o193
Author(s):  
Abdullah M. Asiri ◽  
Muhammad Nadeem Arshad ◽  
Tariq R. Sobahi ◽  
Ghulam Mustafa
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
The Difference

Two independent molecules,AandB, comprise the asymmetric unit of the title compound, C21H18N2OS, with the difference in the angle of orientation between the naphthalene ring system and the mean plane of the cycloheptyl ring [16.13 (1) inAand 11.48 (5)° inB], being evident. The cycloheptyl ring adopts a distorted chair conformation in each molecule with r.m.s. deviations of 0.2345 (4) (A) and 0.2302 (4) Å (B). Intramolecular O—H...N hydrogen bonding generates planar six-memberedS(6) loops with r.m.s. deviations of 0.0099 (1) (A) and 0.0286 (1) Å (B).

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 3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2014 ◽  
Vol 70 (4) ◽  
pp. o464-o464 ◽  
Author(s):  
Dongsoo Koh ◽  
Yoongho Lim ◽  
Alan J. Lough
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Compound C ◽  
Graph Set ◽  
Independent Molecules

The asymmetric unit of the title compound, C20H18N2O2, contains two independent molecules in which the dihedral angles between the naphthalene ring system [r.m.s. deviations = 0.012 (1) and 0.015 (1) Å] and the benzene ring are 71.65 (6) and 74.51 (6)°. In the crystal, pairs of N—H...O hydrogen bonds form two independent inversion dimers with graph-set notationR22(14). In addition, each molecule contains an intramolecular O—H...N hydrogen bond with anS(6) motif.

scholarly journals 2-{[(2-Methoxynaphthalen-1-yl)methyl]amino}phenol

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Sara Mahdjoub ◽  
Raouf Boulcina ◽  
Abdelmadjid Debache ◽  
Nadir Ghichi ◽  
Hocine Merazig
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Amino Phenol ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H17NO2, contains two independent molecules (AandB). The dihedral angle between the naphthalene ring system and the benzene ring is 74.67 (10)° in moleculeAand 78.81 (9)° in moleculeB. In the crystal, molecules are linked by a series of C—H...π interactions, forming sheets parallel to theabplane.

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 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).

scholarly journals 2-Chloro-N-(2,4-dichlorophenyl)acetamide

2009 ◽  
Vol 65 (6) ◽  
pp. o1367-o1367
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Hiromitsu Terao ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Supramolecular Chains

The structure of the title compound, C8H6Cl3NO, contains two molecules in the asymmetric unit. In each independent molecule, the conformation of the N—H bond is almostsynto theortho-chloro substituent and the conformation of the C=O bond isantito the N—H bond. The molecules in the crystal structure are linked into supramolecular chains through N—H...O hydrogen bonding along theaaxis.

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].

4,4′-Dibenzyl-5,5′-(pyridine-2,6-diyl)bis(3,4-dihydro-2H-1,2,4-triazole-3-thione)

2006 ◽  
Vol 62 (5) ◽  
pp. o1822-o1823
Author(s):  
Sibel Demir ◽  
Muharrem Dinçer ◽  
Ahmet Çetin ◽  
Osman Dayan ◽  
Ahmet Cansız
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Tautomeric Form ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The title compound, C23H19N7S2, adopts the ketoamine tautomeric form and displays C—H...N hydrogen-bonding interactions. There are two independent molecules in the asymmetric unit.

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