Crystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-yl-idene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.124-hydrate
Yükleniyor...
Dosyalar
Tarih
2021
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
In the crystal, the whole molecule of the title compound, C14H12N4O7·0.224H2O, is nearly planar with a maximum deviation from the least-squares plane of 0.352?(1)?Å. The molecular conformation is stabilized by an intramolecular N—H?O hydrogen bond, generating an S(6) ring motif. In the crystal, molecules are linked by centrosymmetric pairs of N—H?O hydrogen bonds, forming ribbons along the c-axis direction. These ribbons connected by van der Waals contacts, forming sheets parallel to the ac plane. There are also intermolecular van der Waals contacts and and C—H?? interactions between the sheets. A Hirshfeld surface analysis indicates that the most prevalent interactions are O?H/H?O (41.2%), H?H (19.2%), C?H/H?C (12.2%) and C?O/ O?C (8.4%).
Açıklama
TARAMAWOS
TARAMAPUBMED
TARAMASCOPUS
TARAMAPUBMED
TARAMASCOPUS
Anahtar Kelimeler
Crystal structure, 1,3-diazinane ring, Hydrogen bonds, Hirshfeld surface analysis
Kaynak
Acta Cryst
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
Sayı
E77
