We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4- nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach.
- Authors
Daszkiewicz, Marek; Mielcarek, Agnieszka
- Abstract
Crystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6·2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N-H· · ·O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding patterns. Using mathematical relations, the gradual expansion of the ring patterns was shown in the crystal structures. Parallel and perpendicular arranged nitro groups form weak π(N)NO2· · ·π(O)NO2 and π(N)NO2· · ·ONO2 interactions, respectively. The ·NO2· · ·πring interaction has an impact to the stabilization of parallel oriented nitro groups. Generally, weak interactions constructed by the nitro group occur in the studied crystals as follows: π(N)NO2· · ·π(O)NO2, πring· · ·πring, C-H· · ·O (1); π(N)NO2· · ·π(O)NO2, π(N)NO2· · ·ONO2 (2); π(N)NO2· · ·π(O)NO2, π(N)NO2· · ·ONO2 (3); C-H· · ·O (4).
- Subjects
HYDROGEN bonding; NITROANILINE; CRYSTAL structure
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2016, Vol 72, Issue 6, p916
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520616016139