Literature DB >> 10641285

Network of C-H...O interactions in 4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether).

R E Gerkin1.   

Abstract

The title aldehyde, C15H14O3, crystallized in the centrosymmetric space group P2(1)/c with one molecule in the asymmetric unit. Six significant intermolecular C-H...O interactions have C...O distances ranging from 3.405 (2) to 3.802 (2) A and C-H...O angles ranging from 121 to 162 degrees. These six intermolecular interactions link a molecule directly to six neighbors and form a three-dimensional network. The dihedral angle between the best-fit planes of the benzene rings within a molecule is 78.1 (1) degrees. The dihedral angle between the carboxaldehyde-group plane and the best-fit plane of the ring to which it is attached is 3 (1) degrees.

Entities:  

Mesh:

Substances:

Year:  1999        PMID: 10641285     DOI: 10.1107/s0108270199009051

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  4 in total

1.  Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses.

Authors:  Siya T Hulushe; Meloddy H Manyeruke; Marcel Louzada; Sergei Rigin; Eric C Hosten; Gareth M Watkins
Journal:  RSC Adv       Date:  2020-04-29       Impact factor: 4.036

2.  1-Benz-yloxy-4-(2-nitro-ethen-yl)benzene.

Authors:  Alan R Kennedy; Zaccheus R Kipkorir; Claire I Muhanji; Maurice O Okoth
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-10-30

3.  4-(Benz-yloxy)benzaldehyde.

Authors:  Alan R Kennedy; Zaccheus R Kipkorir; Claire I Muhanji; Maurice O Okoth
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-07-24

4.  Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenyl-enebis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzaldehyde) and 4,4'-{[(1,4-phenyl-ene-bis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzalde-hyde).

Authors:  Saleem Iqbal; Vijayan Viswanathan; Devadasan Velmurugan; Tamilselvan Abiraman; Sengottuvelan Balasubramanian; Krishnasamy Gunasekaran
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2019-05-24
  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.