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. 2021 Jul 27;77(Pt 8):839–846. doi: 10.1107/S2056989021007398

Table 3. A summary of short inter­atomic contacts (Å) for (I) a .

Contact Distance Symmetry operation
N7—H7N⋯O4 b 2.04 x, y − 1, z
C44—H44⋯O4 b 2.38 x, y − 1, z
C37—H37⋯O3 b 2.36 x + {3\over 2}, y − {1\over 2}, −z + {1\over 2}
C14—H14⋯O1 b 2.41 x + 1, −y + 1, −z + 1
C35—H35⋯C12 2.60 x + 1, −y + 1, −z + 1
C2—H2⋯O2 2.54 x, y, z
H24⋯H44 2.17 x, y − 1, z
S1⋯H24 2.93 x + {3\over 2}, y − {1\over 2}, −z + {1\over 2}
C23—H23⋯C19 2.66 x + {1\over 2}, −y + {3\over 2}, z + {1\over 2}
C11—H11⋯O1 2.54 x − {1\over 2}, −y + {1\over 2}, z − {1\over 2}
C42—H42⋯N1 2.59 x + {1\over 2}, −y + {1\over 2}, z + {1\over 2}
C21—H21⋯C6 2.75 x + {1\over 2}, y + {1\over 2}, −z + {1\over 2}
S1⋯C24 3.45 x + {3\over 2}, y − {1\over 2}, −z + {1\over 2}

Notes: (a) The inter­atomic distances are calculated in Crystal Explorer 17 (Turner et al., 2017) with the X—H bond lengths adjusted to their neutron values; (b) these inter­actions correspond to those listed in Table 2.